Back to Search
Molecule
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
Identifiers
CAS Registry Number
756-79-6
SMILES
COP(C)(=O)OC
InChI Key
VONWDASPFIQPDY-UHFFFAOYSA-N
InChI
InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3
Names and Synonyms
- Dimethyl Methylphosphonate Common Name
- Phosphonic acid, P-methyl-, dimethyl ester Synonym
- Phosphonic acid, methyl-, dimethyl ester Synonym
- Dimethyl methylphosphonate Synonym
- DMMP Synonym
- Methanephosphonic acid dimethyl ester Synonym
- Dimethyl methanephosphonate Synonym
- Dimethoxymethyl phosphine oxide Synonym
- Fyrol DMMP Synonym
- Methylphosphonic acid dimethyl ester Synonym
- O,O-Dimethyl methylphosphonate Synonym
- Fran TF 2000 Synonym
- Metaran Synonym
- Reoflam DMMP Synonym
- NSC 62240 Synonym
- D 169102 Synonym
- JY 48K Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.08 g/mol | CAS Common Chemistry |
| 124.07599999999998 g/mol | RDKit | |
| 124.076 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.150 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethyl_methylphosphonate | 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 |
| 1.1021 | RDKit | |
| Molar Refractivity | 27.548499999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 124.028930778 g/mol | RDKit |
| Boiling Point | 181 °C @ 754 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
Convert
Quick conversion
MW = 124.08 g/mol; density = 1.150 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9O3P.
