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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 Mass:
124.08 g/mol
Names and Synonyms:
Dimethyl Methylphosphonate
Phosphonic acid, P-methyl-, dimethyl ester
Phosphonic acid, methyl-, dimethyl ester
Dimethyl methylphosphonate
DMMP
Methanephosphonic acid dimethyl ester
Dimethyl methanephosphonate
Dimethoxymethyl phosphine oxide
Fyrol DMMP
Methylphosphonic acid dimethyl ester
O,O-Dimethyl methylphosphonate
Fran TF 2000
Metaran
Reoflam DMMP
NSC 62240
D 169102
JY 48K
Identifiers:
SMILES:
COP(C)(=O)OC
InChI:
InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3
Key Properties
Boiling Point
181 °C @ Press: 754 Torr
CAS Common Chemistry
Density
1.15 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 | 124.08 g/mol | CAS Common Chemistry |
| 124.07599999999998 g/mol | RDKit | |
| 124.028930778 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.150 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl_methylphosphonate | CAS Common Chemistry |
| Boiling Point | 181 °C @ Press: 754 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(OC)(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VONWDASPFIQPDY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimethyl methylphosphonate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.1020999999999999 | RDKit |
| Molar Refractivity | 27.548499999999986 | RDKit |
