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Nuclear
CAS: 67-56-1 | CH4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67-56-1
Molecular Formula:
CH4O
Molecular Weight:
32.042 g/mol
Names and Synonyms:
Nuclear
Synonym
Methanol
Synonym
Methanol
Synonym
Carbinol
Synonym
Methyl alcohol
Synonym
Methyl hydroxide
Synonym
Monohydroxymethane
Synonym
Wood alcohol
Synonym
Methylol
Synonym
Bieleski's solution
Synonym
Methanol cluster
Synonym
Solutions, Bieleski's
Synonym
NSC 85232
Synonym
Identifiers:
SMILES:
CO
InChI:
InChI=1S/CH4O/c1-2/h2H,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 32.04 g/mol | Legacy Database |
| density | 0.81 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methanol None | Legacy Database |
| cas-boiling-point | 64.7 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OC None | Legacy Database |
| cas-density | 0.8100 g/cm3 @ Temp: 0 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH4O/c1-2/h2H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OKKJLVBELUTLKV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -97.8 °C None | Legacy Database |
| cas-name | Methanol None | Legacy Database |
| wikipedia-name | Methanol None | Legacy Database |
| LogP | -0.3915 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 32.042 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 32.026214748 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 8.1428 | RDKit |