BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

3-hydroxyphenylacetic Acid

Graphical representations:

3-hydroxyphenylacetic acid image

Molecular Formula: C8 H8 O3

Natural Isotopic Abundance Mass: 152.14732

Mono-Isotopic Molecular Masses:

  • C12N14: 152.0473441231
  • C13N14: 160.0741828255
  • C12N15: 152.0473441231
  • C13N15: 160.0741828255

InCHi String:

canonical and isomeric SMILES: C1=CC(=CC(=C1)O)CC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-(3-hydroxyphenyl)acetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(3-hydroxyphenyl)ethanoic acid

PubChem Substance (SID):   85165139   22389300   155437
PubChem Compound (CID):   12122
KEGG: Compound ID   C05593
CAS Registry IDs:   621-37-4
PDB Chemical Component   3HP
Miscellaneous Databases and IDs:   ChemIDplus 000621374   ChEBI CHEBI:17445   Shanghai Institute of Organic Chemistry 3pce   ChemSpider 16253543   NIST 1172965363   DiscoveryGate 12122   EINECS 210-684-4   DTP/NCI 14360   NMRShiftDB 20096862   Sigma-Aldrich 56130_FLUKA   ChemDB 6690549

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.