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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 Weight:
44.009 g/mol
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 44.01 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Carbon_dioxide | Legacy Database | |
| cas-boiling-point | -78.5 °C | Legacy Database | |
| cas-canonical-smile | O=C=O | Legacy Database | |
| cas-density | 1.2 x 10-3-0.2100 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/CO2/c2-1-3 | Legacy Database | |
| cas-inchi-key | InChIKey=CURLTUGMZLYLDI-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -56.6 °C | Legacy Database | |
| cas-name | Carbon dioxide | Legacy Database | |
| wikipedia-name | Carbon dioxide | Legacy Database | |
| LogP | -0.5835 | RDKit | |
| Molecular | Molecular Weight | 44.009 g/mol | RDKit |
| Exact | Exact Molecular Weight | 43.98982924 g/mol | RDKit |
| Heavy | Heavy Atom Count | 3 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 34.14 Ų | RDKit |
| Molar | Molar Refractivity | 5.007 | RDKit |
