Carbon Dioxide

CAS 124-38-9  ·  CO2  ·  MW 44.009 g/mol

Loading molecule...
3D model Carbon Dioxide, CAS 124-38-9, molecular formula CO2, molar mass 44.009 g/mol

Model views

  • Carbon Dioxide (CAS 124-38-9) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Carbon Dioxide (CAS 124-38-9) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Carbon Dioxide (CAS 124-38-9) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Carbon Dioxide (CAS 124-38-9) – 2D structure, MolGod Viewer
    2D structure

© 2026 MolGod.org. All rights reserved. · Image rights

About Carbon Dioxide

Carbon Dioxide is a chemical compound registered under number CAS 124-38-9, with the molecular formula CO2, and a molar mass of 44.009 g/mol.

The molecule contains 3 atoms connected by 2 chemical bonds. The full systematic IUPAC name of this compound is carbon dioxide. 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 = 0.9 (positive value, a lipophilic 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 formulaCO2
Molar mass44.009 g/mol
IUPACcarbon dioxide
SMILESC(=O)=O
InChIKeyCURLTUGMZLYLDI-UHFFFAOYSA-N
logP (XLogP3)0.9
PSA34.1 Ų
HBD / HBA0 / 2
PubChem CIDCID 280 ↗
GHS safety

Signal word: Warning

GHS04
GHS04
GHS07
GHS07

H280 — Contains gas under pressure; may explode if heated

H336 — May cause drowsiness or dizziness

Scientific literature

Related literature

20 articles · 18 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 20)

2022: number of articles 120222024: number of articles 12025: number of articles 120252026: number of articles 172026

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
carbon dioxide · carbonic anhydride · 124-38-9 · carbonic acid gas · Carbonic acid anhydride · methanedione · Carbonica · Kohlendioxyd · Carbon oxide, di- · Kohlensaure · Khladon 744 · After-damp · AER Fixus · Anhydride carbonique · Dioxido de carbono
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, 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.

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/280
  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)
Carbon Dioxide (CAS 124-38-9), CO2 - 3D ball-and-stick molecular model, engraved element symbols (C O), MolGod STL previewDownload image

MG-STL-124-38-9-ENGRAVED · 53,926 △ · 3 MB · SHA-256 371cdd49f2fce6ac

Download 3D model · ENGRAVED · C O

Carbon Dioxide (CAS 124-38-9), CO2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-124-38-9-NORMAL · 1,344 △ · 66 KB · SHA-256 45e51a44271da4ea

Download 3D model

Model
Carbon Dioxide · 124-38-9
InChIKey
CURLTUGMZLYLDI-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Carbon Dioxide (CAS 124-38-9)
License & provenance record
Carbon Dioxide (CAS 124-38-9) →
MolGod molecule record
Carbon Dioxide →
Source data
PubChem CID 280 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
45e51a44271da4ea9a4fbbf9d13fe4e42f4a96d94a510b79c931b1489c38e62b
MD5 (STL)
ceda148ca2f062a2c7e02981a4778b4b
Model identifier
MG-STL-124-38-9
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.

—