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Methanol
CAS: 67-56-1 | CH4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67-56-1
Molecular Formula:
CH4O
Molecular Mass:
32.04 g/mol
Names and Synonyms:
Methanol
Methanol
Carbinol
Methyl alcohol
Methyl hydroxide
Monohydroxymethane
Wood alcohol
Methylol
Bieleski's solution
Methanol cluster
Solutions, Bieleski's
NSC 85232
Nuclear
Identifiers:
SMILES:
CO
InChI:
InChI=1S/CH4O/c1-2/h2H,1H3
Key Properties
Boiling Point
64.7 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-97.8 °C
CAS Common Chemistry
Density
0.81 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 32.04 g/mol | CAS Common Chemistry |
| 32.042 g/mol | RDKit | |
| 32.026214748 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.8100 g/cm3 @ Temp: 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methanol | CAS Common Chemistry |
| Boiling Point | 64.7 °C @ Press: 760 Torr | 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 | RDKit |
