Basic information
- CAS
72305-97-6- Standard SMILES
COP(=O)(OC)C(=O)Oc1ccc(C)cc1- InChIKey
YHCKQPDMBOBZBH-UHFFFAOYSA-N- Molecular formula
- C10H13O5P
- Average molar mass
- 244.18 g/mol
- Monoisotopic mass
- 244.05006051
Names & identifiers
- Preferred name
- Phosphinecarboxylic acid, dimethoxy-, 4-methylphenyl ester, oxide
- IUPAC
- (4-methylphenyl) dimethoxyphosphorylformate
Names & synonyms
72305-97-6Phosphinecarboxylic acid, dimethoxy-, 4-methylphenyl ester, oxideCHEMBL315606Dimethyl p-tolyloxycarbonylphosphonateSCHEMBL10935165p-tolyl dimethoxyphosphorylformateDTXSID10222650YHCKQPDMBOBZBH-UHFFFAOYSA-NBDBM500275544-methylphenyl dimethoxyphosphinecarboxylate oxide4-Methylphenyl dimethoxy(oxo)-lambda~5~-phosphanecarboxylate
Database identifiers
- CAS
72305-97-6- PubChem CID
- 512116
- DTXSID
DTXSID10222650- ChEMBL
CHEMBL315606
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
5 records
Compound notes
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