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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 Weight:
28.009999999999998 g/mol
Names and Synonyms:
Carbon Monoxide
N 37
Carbon monooxide
Carbon oxide (CO)
Carbon monoxide
Identifiers:
SMILES:
[C-]#[O+]
InChI:
InChI=1S/CO/c1-2
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 | 28.01 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Carbon_monoxide | Legacy Database | |
| cas-boiling-point | -191.5 °C | Legacy Database | |
| cas-canonical-smile | [C-]#[O+] | Legacy Database | |
| cas-density | 1.25 x 10-3 g/cm3 @ Temp: 0 °C | Legacy Database | |
| cas-inchi | InChI=1S/CO/c1-2 | Legacy Database | |
| cas-inchi-key | InChIKey=UGFAIRIUMAVXCW-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -205 °C | Legacy Database | |
| cas-name | Carbon monoxide | Legacy Database | |
| wikipedia-name | Carbon monoxide | Legacy Database | |
| LogP | -0.03751 | RDKit | |
| Molecular | Molecular Weight | 28.009999999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 27.99491462 g/mol | RDKit |
| Heavy | Heavy Atom Count | 2 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 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 | 19.9 Ų | RDKit |
| Molar | Molar Refractivity | 3.9295 | RDKit |
