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Methanol-D
CAS: 1455-13-6 | CH4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1455-13-6
Molecular Formula:
CH4O
Molecular Mass:
33.05 g/mol
Names and Synonyms:
Methanol-D
Methanol-d
Methyl alcohol-d
Methanol (CH3OD)
Methanol-O-d
Methanol-hydroxy-d
O-Deuteromethanol
Methyl deuteroxide
Methanol-d
Identifiers:
SMILES:
[2H]OC
InChI:
InChI=1S/CH4O/c1-2/h2H,1H3/i2D
Key Properties
Boiling Point
64-65 °C @ Press: 740 Torr
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 | 33.05 g/mol | CAS Common Chemistry |
| 33.048101777999996 g/mol | RDKit | |
| 33.032491494 g/mol | RDKit | |
| Boiling Point | 64-65 °C @ Press: 740 Torr | CAS Common Chemistry |
| Canonical SMILES | OC | CAS Common Chemistry |
| InChI | InChI=1S/CH4O/c1-2/h2H,1H3/i2D | CAS Common Chemistry |
| InChI Key | InChIKey=OKKJLVBELUTLKV-VMNATFBRSA-N | CAS Common Chemistry |
| Name | Methanol-d | 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 | -0.39149999999999996 | RDKit |
| Molar Refractivity | 8.142800000000001 | RDKit |
