Sodium Salicylate

CAS 54-21-7  ·  C₇H₅NaO₃  ·  MW 160.10 g/mol

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3D model Sodium Salicylate, CAS 54-21-7, molecular formula C₇H₅NaO₃, molar mass 160.10 g/mol
About Sodium Salicylate

Sodium Salicylate is a chemical compound registered under number CAS 54-21-7, with the molecular formula C₇H₅NaO₃, and a molar mass of 160.10 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is sodium 2-hydroxybenzoate. 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 = 60.4 Ų, 1 donors and 3 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 formulaC₇H₅NaO₃
Molar mass160.10 g/mol
IUPACsodium 2-hydroxybenzoate
SMILESC1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
InChIKeyABBQHOQBGMUPJH-UHFFFAOYSA-M
logP (XLogP3)—
PSA60.4 Ų
HBD / HBA1 / 3
PubChem CIDCID 16760658 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
GHS08
GHS08

H302 — Harmful if swallowed

H319 — Causes serious eye irritation

Scientific literature

Related literature

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

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

📈 Publication timeline (number of articles: 20)

1996: number of articles 119962000: number of articles 12004: number of articles 12007: number of articles 12012: number of articles 120122023: number of articles 52024: number of articles 52025: number of articles 42026: 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
Sodium salicylate · 54-21-7 · Enterosalicyl · Kerasalicyl · Alysine · Benzoic acid, 2-hydroxy-, monosodium salt · Natrum salicylicum · Salicylic acid sodium salt · salicylate sodium · Monosodium 2-hydroxybenzoate · Natrii salicylas · WIQ1H85SYP · Salicylate, sodium · NSC-202167 · DTXCID701708
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 2 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/16760658
  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)
Sodium Salicylate (CAS 54-21-7), C₇H₅NaO₃ - 3D ball-and-stick molecular model, engraved element symbols (C H Na O), MolGod STL previewDownload image

MG-STL-54-21-7-ENGRAVED · 249,484 △ · 12 MB · SHA-256 8e947334bf34d46c

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Sodium Salicylate (CAS 54-21-7), C₇H₅NaO₃ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-54-21-7-NORMAL · 6,944 △ · 339 KB · SHA-256 cae2ae51905d434c

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Model
Sodium Salicylate · 54-21-7
InChIKey
ABBQHOQBGMUPJH-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium Salicylate (CAS 54-21-7)
License & provenance record
Sodium Salicylate (CAS 54-21-7) →
MolGod molecule record
Sodium Salicylate →
Source data
PubChem CID 16760658 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
cae2ae51905d434c115318306ab764304ed275f369ded6b7afcee4557788bc1e
MD5 (STL)
a61a601ed92cf20721e8b1fcf2b27372
Model identifier
MG-STL-54-21-7
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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