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Molecule
Carbon Dioxide
CAS: 124-38-9 · CO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 124-38-9
- Molecular Formula
- CO2
- Molecular Mass
- 44.01 g/mol
Identifiers
CAS Registry Number
124-38-9
SMILES
O=C=O
InChI Key
CURLTUGMZLYLDI-UHFFFAOYSA-N
InChI
InChI=1S/CO2/c2-1-3
Names and Synonyms
- Carbon Dioxide Common Name
- Carbon dioxide Synonym
- Carbonic acid gas Synonym
- Carbonic anhydride Synonym
- Dry ice Synonym
- Carbon oxide (CO2) Synonym
- R 744 Synonym
- Carbonic acid anhydride Synonym
- Khladon 744 Synonym
- Carbon-12 dioxide Synonym
- Carbon-12C dioxide-16O2 Synonym
- EN 439C1 Synonym
- Baros Effervescent Granules Synonym
- N 45 (gas) Synonym
- N 45 Synonym
- CO2 Synonym
- Gost 8050-85 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 44.01 g/mol | CAS Common Chemistry |
| 44.009 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbon_dioxide | CAS Common Chemistry |
| Boiling Point | -78.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C=O | CAS Common Chemistry |
| Density | 1.2 x 10-3-0.2100 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/CO2/c2-1-3 | CAS Common Chemistry |
| InChI Key | InChIKey=CURLTUGMZLYLDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -56.6 °C | CAS Common Chemistry |
| Name | Carbon dioxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | -0.5835 | RDKit |
| Molar Refractivity | 5.007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 43.98982924 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Safety
Found in products
Vendor products containing this compound. Click through to the SDS revision history. Vendor URLs may rot; the linked PDFs are frozen copies retrieved on the listed date.
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MW = 44.01 g/mol. Edit any field — others recompute live.
