alpha-Phosphonobenzeneacetic acid
2-phenyl-2-phosphonoacetic acid
Also Known As: alpha-Phosphonobenzeneacetic acid|2-phenyl-2-phosphonoacetic acid|Benzeneacetic acid,a-phosphono|Benzeneacetic acid, alpha-phosphono-|Benzeneacetic acid, a-phosphono-|PHENYL(PHOSPHONO)ACETIC ACID|2-PHENYL-2-PHOSPHONO-ACETIC ACID
CAS: 38654-93-2
| Molecular Formula | C8H9O5P |
|---|---|
| Molecular Weight | 216.01875 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.01875 |
| Monoisotopic Mass | 216.01875 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 38654-93-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)P(=O)(O)O |
| InChIKey | XOAOLUVHGLODKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (2 patents)
Heterocyclic Building Blocks (19 patents)
Organic Building Blocks (10 patents)
Organometallic Reagents (9 patents)
Peptides & Amino Acids (2 patents)
Pharmaceutical Intermediates (17 patents)
Polymer Intermediates (2 patents)
Product Overview
alpha-Phosphonobenzeneacetic acid (CAS 38654-93-2), with molecular formula C8H9O5P and molecular weight 216.01875 g/mol. IUPAC: 2-phenyl-2-phosphonoacetic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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