Basic information
- CAS
10088-45-6- Standard SMILES
COP(=O)(O)c1ccccc1- InChIKey
ZWBALHRZGYPNNG-UHFFFAOYSA-N- Molecular formula
- C7H9O3P
- Average molar mass
- 172.12 g/mol
- Monoisotopic mass
- 172.02893114
Overview
Monomethyl phenylphosphonate is a member of benzenes.
Names & identifiers
- Preferred name
- Methyl hydrogen P-phenylphosphonate
- IUPAC
- methoxy(phenyl)phosphinic acid
- English name
- Phenylphosphonic acid methyl ester
- Molecular formula
- C7H9O3P
- Molecular weight
- 172.12
Names & synonyms
Methyl phenylphosphonate10088-45-6Phenylphosphonic acid, monomethyl esterRefChem:925722Methyl hydrogen P-phenylphosphonatemethoxy(phenyl)phosphinic acidMethyl hydrogen phenylphosphonatephenylphosphonic acid methyl estermonomethyl phenylphosphonatehydrogen methyl phenylphosphonateDTXSID60905820SCHEMBL344018
Show more names
Phenylphosphonic acid hydrogen methyl esterPhosphonic acid, P-phenyl-, monomethyl ester
SCHEMBL483293CHEBI:172071
Database identifiers
- CAS
10088-45-6- PubChem CID
- 24913
- DTXSID
DTXSID60905820- ChEBI
CHEBI:172071- Nikkaji
- J173.944A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 91 °C · 91 °C
- Boiling point
- 94.5 °C · 94.5 °C(Press: 13 Torr)
- Density
- 1.0972 g/cm3 · 1.0972 g/cm3(Temp: 0 °C)
- pka
- 2.18 · 2.18±0.58(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: Monomethyl phenylphosphonate is a member of benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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