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Molecule
Ethyl 2-(Dimethoxyphosphinyl)Acetate
CAS: 311-46-6 · C6H13O5P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 311-46-6
- Molecular Formula
- C6H13O5P
- Molecular Mass
- 196.14 g/mol
Identifiers
CAS Registry Number
311-46-6
SMILES
CCOC(=O)CP(=O)(OC)OC
InChI Key
HUNISAHOCCASGM-UHFFFAOYSA-N
InChI
InChI=1S/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3
Names and Synonyms
- Ethyl 2-(Dimethoxyphosphinyl)Acetate Synonym
- Acetic acid, 2-(dimethoxyphosphinyl)-, ethyl ester Synonym
- Acetic acid, phosphono-, 1-ethyl dimethyl ester Synonym
- Acetic acid, (dimethoxyphosphinyl)-, ethyl ester Synonym
- Ethyl 2-(dimethoxyphosphinyl)acetate Synonym
- Ethyl O,O-dimethylphosphonoacetate Synonym
- Ethyl dimethoxyphosphonoacetate Synonym
- Ethyl (dimethoxyphosphinyl)acetate Synonym
- Ethyl (dimethylphosphono)acetate Synonym
- Ethyl 2-(dimethoxyphosphoryl)acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.14 g/mol | CAS Common Chemistry |
| 196.13899999999998 g/mol | RDKit | |
| 196.139 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2053 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCC)CP(=O)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HUNISAHOCCASGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 2-(dimethoxyphosphinyl)acetate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 61.83000000000001 Ų | RDKit |
| 61.83 Ų | RDKit | |
| LogP | 1.0354 | RDKit |
| Molar Refractivity | 43.12450000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 196.050060146 g/mol | RDKit |
| Boiling Point | 134.5-135.0 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 196.14 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13O5P.
