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Molecule
Methanol
CAS: 67-56-1 · CH4O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 67-56-1
- Molecular Formula
- CH4O
- Molecular Mass
- 32.04 g/mol
Identifiers
CAS Registry Number
67-56-1
SMILES
CO
InChI Key
OKKJLVBELUTLKV-UHFFFAOYSA-N
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
Names and Synonyms
- 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
- Nuclear Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 32.04 g/mol | CAS Common Chemistry |
| 32.042 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.8100 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanol | CAS Common Chemistry |
| Canonical SMILES | OC | CAS Common Chemistry |
| InChI | InChI=1S/CH4O/c1-2/h2H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OKKJLVBELUTLKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -97.8 °C | CAS Common Chemistry |
| Name | Methanol | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.3915 | RDKit |
| Molar Refractivity | 8.1428 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 32.026214748 g/mol | RDKit |
| Boiling Point | 64.7 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 32.04 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH4O.
