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Dimethyl Methylphosphonate
CAS: 756-79-6 | C3H9O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
756-79-6
Molecular Formula:
C3H9O3P
Molecular Weight:
124.07599999999998 g/mol
Names and Synonyms:
Dimethyl Methylphosphonate
JY 48K
D 169102
NSC 62240
Reoflam DMMP
Metaran
Fran TF 2000
O,O-Dimethyl methylphosphonate
Methylphosphonic acid dimethyl ester
Fyrol DMMP
Dimethoxymethyl phosphine oxide
Dimethyl methanephosphonate
Methanephosphonic acid dimethyl ester
DMMP
Dimethyl methylphosphonate
Phosphonic acid, methyl-, dimethyl ester
Phosphonic acid, P-methyl-, dimethyl ester
Identifiers:
SMILES:
COP(C)(=O)OC
InChI:
InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3
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 | 124.08 g/mol | Legacy Database |
| density | 1.15 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethyl_methylphosphonate None | Legacy Database |
| cas-boiling-point | 181 °C @ Press: 754 Torr None | Legacy Database |
| cas-canonical-smile | O=P(OC)(OC)C None | Legacy Database |
| cas-density | 1.150 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=VONWDASPFIQPDY-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Dimethyl methylphosphonate None | Legacy Database |
| wikipedia-name | Dimethyl methylphosphonate None | Legacy Database |
| LogP | 1.1020999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 124.07599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 124.028930778 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.548499999999986 | RDKit |
