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Carbon Dioxide
CAS: 124-38-9 | CO2
2D Structure
3D Structure
Loading 3D structure...
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
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
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.
