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Molecule
Carbon Monoxide
CAS: 630-08-0 · CO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 630-08-0
- Molecular Formula
- CO
- Molecular Mass
- 28.01 g/mol
Identifiers
CAS Registry Number
630-08-0
SMILES
[C-]#[O+]
InChI Key
UGFAIRIUMAVXCW-UHFFFAOYSA-N
InChI
InChI=1S/CO/c1-2
Names and Synonyms
- Carbon Monoxide Common Name
- Carbon monoxide Synonym
- Carbon oxide (CO) Synonym
- Carbon monooxide Synonym
- N 37 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 28.01 g/mol | CAS Common Chemistry |
| 28.009999999999998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbon_monoxide | CAS Common Chemistry |
| Boiling Point | -191.5 °C | CAS Common Chemistry |
| Canonical SMILES | [C-]#[O+] | CAS Common Chemistry |
| InChI | InChI=1S/CO/c1-2 | CAS Common Chemistry |
| InChI Key | InChIKey=UGFAIRIUMAVXCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -205 °C | CAS Common Chemistry |
| Name | Carbon monoxide | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 19.9 Ų | RDKit |
| LogP | -0.03751 | RDKit |
| -0.0375 | RDKit | |
| Molar Refractivity | 3.9295 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 27.99491462 g/mol | RDKit |
| Density | 1.25 x 10-3 g/cm3 @ 0 °C | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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Quick conversion
MW = 28.01 g/mol. Edit any field — others recompute live.
