Dimethyl (1-hydroxyethyl)phosphonate
Basic information
- CAS
10184-66-4- Standard SMILES
COP(=O)(OC)C(C)O- InChIKey
KZHGNHTVCUWRKR-UHFFFAOYSA-N- Molecular formula
- C4H11O4P
- Average molar mass
- 154.1 g/mol
- Monoisotopic mass
- 154.03949583
Names & identifiers
- Preferred name
- Dimethyl (1-hydroxyethyl)phosphonate
- IUPAC
- 1-dimethoxyphosphorylethanol
- English name
- dimethyl (1-hydroxyethyl)phosphonate
- Molecular formula
- C4H11O4P
- Molecular weight
- 154.1
Names & synonyms
Dimethyl (1-hydroxyethyl)phosphonate10184-66-41-dimethoxyphosphorylethanol1-Hydroxyethylphosphonic acid dimethyl esterEINECS 233-456-6DIMETHYL 1-HYDROXYETHYLPHOSPHONATESCHEMBL3361807CHEMBL2289466DTXSID30872272dimethyl alpha-hydroxyethylphosphonateNS00043841I84608
Show more names
Phosphonic acid, P-(1-hydroxyethyl)-, dimethyl ester
Database identifiers
- CAS
10184-66-4- PubChem CID
- 112018
- DTXSID
DTXSID30872272- ChEMBL
CHEMBL2289466- EC Number
- 233-456-6
- Nikkaji
- J227.089G
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 138 °C · 138 °C(Press: 18 Torr)
- Density
- 1.2314 g/cm3 · 1.2314 g/cm3
- pka
- 12.8 · 12.80±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
4 records
Compound notes
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