Basic information
- CAS
72305-95-4- Standard SMILES
CCOP(=O)(OCC)C(=O)Oc1ccc(OC)cc1- InChIKey
JXVODAWCJBNFSH-UHFFFAOYSA-N- Molecular formula
- C12H17O6P
- Average molar mass
- 288.23 g/mol
- Monoisotopic mass
- 288.07627489
Names & identifiers
- Preferred name
- Phosphinecarboxylic acid, diethoxy-, 4-methoxyphenyl ester, oxide
- IUPAC
- (4-methoxyphenyl) diethoxyphosphorylformate
Names & synonyms
72305-95-4Phosphinecarboxylic acid, diethoxy-, 4-methoxyphenyl ester, oxideCHEMBL314377(4-methoxyphenyl) diethoxyphosphorylformatediethyl 4-methoxyphenoxycarbonylphosphonateSCHEMBL10886984DTXSID40222648JXVODAWCJBNFSH-UHFFFAOYSA-NBDBM500275764-methoxyphenyl diethoxyphosphinecarboxylate oxide4-Methoxyphenyl diethoxy(oxo)-lambda~5~-phosphanecarboxylate
Database identifiers
- CAS
72305-95-4- PubChem CID
- 512114
- DTXSID
DTXSID40222648- ChEMBL
CHEMBL314377
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
5 records
Compound notes
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