2-Phenyl-2-phosphonoacetic acid
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Basic information
- CAS
38654-93-2- Standard SMILES
O=C(O)C(c1ccccc1)P(=O)(O)O- InChIKey
XOAOLUVHGLODKG-UHFFFAOYSA-N- Molecular formula
- C8H9O5P
- Average molar mass
- 216.13 g/mol
- Monoisotopic mass
- 216.01876038
Names & identifiers
- Preferred name
- 2-Phenyl-2-phosphonoacetic acid
- IUPAC
- 2-phenyl-2-phosphonoacetic acid
- English name
- 2-phenyl-2-phosphono-acetic acid
- Molecular formula
- C8H9O5P
- Molecular weight
- 0
Names & synonyms
2-phenyl-2-phosphonoacetic acid38654-93-2Benzeneacetic acid, alpha-phosphono-alpha-Phosphonobenzeneacetic acidSCHEMBL1409051DTXSID60959500PHENYL(PHOSPHONO)ACETIC ACID2-PHENYL-2-PHOSPHONO-ACETIC ACID
Database identifiers
- CAS
38654-93-2- PubChem CID
- 148259
- DTXSID
DTXSID60959500
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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