Oxalic acid dihydrate

CAS 6153-56-6  ·  HO2CCO2H·2H2O  ·  MW 126.07 g/mol

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3D model Oxalic acid dihydrate, CAS 6153-56-6, molecular formula HO2CCO2H·2H2O, molar mass 126.07 g/mol
About Oxalic acid dihydrate

Oxalic acid dihydrate is a chemical compound registered under number CAS 6153-56-6, with the molecular formula HO2CCO2H·2H2O, and a molar mass of 126.07 g/mol.

The molecule contains 14 atoms connected by 11 chemical bonds. The full systematic IUPAC name of this compound is oxalic acid;dihydrate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 76.6 Ų, 4 donors and 6 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaHO2CCO2H·2H2O
Molar mass126.07 g/mol
IUPACoxalic acid;dihydrate
SMILESC(=O)(C(=O)O)O.O.O
InChIKeyGEVPUGOOGXGPIO-UHFFFAOYSA-N
logP (XLogP3)—
PSA76.6 Ų
HBD / HBA4 / 6
PubChem CIDCID 61373 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
GHS08
GHS08

H302 — Harmful if swallowed

H312 — Harmful in contact with skin

H314 — Causes severe skin burns and eye damage

H373 — May cause damage to organs through prolonged or repeated exposure

Scientific literature

Related literature

12 articles · 6 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 12)

2010: number of articles 120102014: number of articles 12016: number of articles 12019: number of articles 22020: number of articles 12022: number of articles 120222023: number of articles 12024: number of articles 22025: number of articles 12026: number of articles 12026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
Oxalic acid dihydrate · 6153-56-6 · Ethanedioic acid, dihydrate · ETHANEDIOIC ACID DIHYDRATE · 0K2L2IJ59O · OXALICUM ACIDUM · VARROMED COMPONENT OXALIC ACID DIHYDRATE · RefChem:1093935 · DTXCID8043070 · 612-167-2 · Oxalic acid, dihydrate · MFCD00149102 · OXALIC ACID (1,2-13C2) · UNII-0K2L2IJ59O · Oxalicaciddihydrate
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/61373
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Oxalic acid dihydrate (CAS 6153-56-6), HO2CCO2H·2H2O - 3D ball-and-stick molecular model, engraved element symbols (H O C), MolGod STL previewDownload image

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Oxalic acid dihydrate (CAS 6153-56-6), HO2CCO2H·2H2O - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Oxalic acid dihydrate · 6153-56-6
InChIKey
GEVPUGOOGXGPIO-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Oxalic acid dihydrate (CAS 6153-56-6)
License & provenance record
Oxalic acid dihydrate (CAS 6153-56-6) →
MolGod molecule record
Oxalic acid dihydrate →
Source data
PubChem CID 61373 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
2af0e35f7073e88db568e236a29e930a3a712e21df714471733d156c59bc4471
MD5 (STL)
6c5b2680247b4e0ae429320d8e713322
Model identifier
MG-STL-6153-56-6
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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