Dioxygen

CAS 7782-44-7  ·  O2  ·  MW 31.999 g/mol

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3D model Oxygen, CAS 7782-44-7, molecular formula O2, molar mass 31.999 g/mol
About Dioxygen

Dioxygen is a chemical compound registered under number CAS 7782-44-7, with the molecular formula O2, and a molar mass of 31.999 g/mol.

The molecule contains 2 atoms connected by 1 chemical bonds. The full systematic IUPAC name of this compound is molecular oxygen. 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, the partition coefficient logP = -1.1 (negative value, a hydrophilic compound), polar surface area PSA = 34.1 Ų, 0 donors and 2 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 formulaO2
Molar mass31.999 g/mol
IUPACmolecular oxygen
SMILESO=O
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
logP (XLogP3)-1.1
PSA34.1 Ų
HBD / HBA0 / 2
PubChem CIDCID 977 ↗
GHS safety

Signal word: Danger

GHS03
GHS03
GHS04
GHS04

H270 — May cause or intensify fire; oxidiser

Scientific literature

Related literature

20 articles · 16 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 20)

1974: number of articles 119742004: number of articles 12012: number of articles 12017: number of articles 120172023: number of articles 12025: number of articles 12026: number of articles 142026

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
oxygen · Molecular oxygen · oxygen molecule · Dioxygen · 7782-44-7 · Pure oxygen · Oxygenium · Liquid oxygen · Oxygen, liquified · Oxygen-16 · Compressed oxygen · Oxygen, compressed · INS NO.948 · INS-948 · E-948
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

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, UFF 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.

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. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  5. 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
  6. 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/977
  7. 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)
dioxygen (CAS 7782-44-7), O2 - 3D ball-and-stick molecular model, engraved element symbols (O), MolGod STL previewDownload image

MG-STL-7782-44-7-ENGRAVED · 36,454 △ · 2 MB · SHA-256 3f42f3894f3cee30

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dioxygen (CAS 7782-44-7), O2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-7782-44-7-NORMAL · 832 △ · 41 KB · SHA-256 b89cb078340c3e7c

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Model
dioxygen · 7782-44-7
InChIKey
MYMOFIZGZYHOMD-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — dioxygen (CAS 7782-44-7)
License & provenance record
dioxygen (CAS 7782-44-7) →
MolGod molecule record
dioxygen →
Source data
PubChem CID 977 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
b89cb078340c3e7c1c8786bba94d2eaa0aef0988104f5ace7afc24eeade8bba4
MD5 (STL)
e28002adda78e7505dcbc6aba120ad34
Model identifier
MG-STL-7782-44-7
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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