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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
Methanol
Methanol
Carbinol
Methyl alcohol
Methyl hydroxide
Monohydroxymethane
Wood alcohol
Methylol
Bieleski's solution
Methanol cluster
Solutions, Bieleski's
NSC 85232
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 |
