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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
Names and Synonyms:
Carbon Dioxide
Gost 8050-85
CO2
N 45
N 45 (gas)
Baros Effervescent Granules
EN 439C1
Carbon-12C dioxide-16O2
Carbon-12 dioxide
Khladon 744
Carbonic acid anhydride
R 744
Carbon oxide (CO2)
Dry ice
Carbonic anhydride
Carbonic acid gas
Carbon dioxide
Identifiers:
SMILES:
O=C=O
InChI:
InChI=1S/CO2/c2-1-3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Physical Properties | 44.01 g/mol | Legacy Database |
| https://en.wikipedia.org/wiki/Carbon_dioxide | Legacy Database | |
| -78.5 °C | Legacy Database | |
| O=C=O | Legacy Database | |
| 1.2 x 10-3-0.2100 g/cm3 | Legacy Database | |
| InChI=1S/CO2/c2-1-3 | Legacy Database | |
| InChIKey=CURLTUGMZLYLDI-UHFFFAOYSA-N | Legacy Database | |
| -56.6 °C | Legacy Database | |
| Carbon dioxide | Legacy Database | |
| Carbon dioxide | Legacy Database | |
| -0.5835 | RDKit | |
| Molecular | 44.009 g/mol | RDKit |
| Exact | 43.98982924 g/mol | RDKit |
| Heavy | 3 count | RDKit |
| Hydrogen | 2 count | RDKit |
| 0 count | RDKit | |
| Rotatable | 0 count | RDKit |
| Aromatic | 0 count | RDKit |
| Topological | 34.14 Ų | RDKit |
| Molar | 5.007 | RDKit |
