[Methoxy(phenyl)phosphoryl]acetic acid

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Basic information

CAS: 18952-16-4
Standard SMILES: COP(=O)(CC(=O)O)c1ccccc1
InChIKey: WOMCCRPWMVUWIN-UHFFFAOYSA-N
Molecular formula: C9H11O4P
Average molar mass: 214.15 g/mol
Monoisotopic mass: 214.03949583

Names & identifiers

Preferred name: [Methoxy(phenyl)phosphoryl]acetic acid
IUPAC: 2-[methoxy(phenyl)phosphoryl]acetic acid

Names & synonyms

[methoxy(phenyl)phosphoryl]acetic acidSMR000131852HMS1614L0318952-16-4MLS000521444CHEMBL1498230DTXSID10399477HMS2464E14AKOS001664615SR-01000083339SR-01000083339-1

Database identifiers

CAS: 18952-16-4
PubChem CID: 4116002
DTXSID: DTXSID10399477
ChEMBL: CHEMBL1498230
Nikkaji: J989.858A

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 245

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Compound notes

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