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Molecule record

Hippuric acid

C9H9NO3

179.17 g/mol

2D structure for Hippuric acid

Molecular properties

Formula
C9H9NO3
Molar mass
179.17 g·mol−1
Exact mass
179.0582 Da
6
2
3
66.40 Ų
0.3 (PubChem computed XLogP3-AA descriptor)
CAS
495-69-2
PubChem CID
464

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alcohol
Alkene
Amide
Amine
Aromatic ring
Carboxylic acid
Phenol

Physical properties

PropertyValueConditionsSource
Logp0.3PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 2-(Phenylformamido)Acetic Acid
  • 2-Benzamidoacetic acid
  • 495-69-2
  • Acido ippurico
  • Benzamidoacetic acid
  • Benzamidoessigsaeure
  • Benzoylaminoacetic acid
  • Benzoylaminoessigsaeure
Show all 22 synonyms
  • Benzoylglycine
  • CHEBI:132966
  • CHEBI:18089
  • DTXCID7026073
  • DTXSID9046073
  • Glycine, N-benzoyl-
  • HIPPURICUM ACIDUM
  • Hippursaeure
  • N-Benzoylglycine
  • NSC-9982
  • Phenylcarbonylaminoacetic acid
  • RefChem:5887
  • TE0865N2ET
  • hippurate

Structure identifiers

Canonical SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)O
Isomeric SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKey
QIAFMBKCNZACKA-UHFFFAOYSA-N
PubChem CID
464

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
1660 cm−1amide C=O (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Hippuric acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Hippuric acid; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record