BMRB

Biological Magnetic Resonance Data Bank


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

4-Hydroxyphenylacetic Acid

Graphical representations:

4-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: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

canonical and isomeric SMILES: C1=CC(=CC=C1CC(=O)O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-(4-hydroxyphenyl)acetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(4-hydroxyphenyl)ethanoic acid

PubChem Substance (SID):   85165244   8143891   10509268
PubChem Compound (CID):   127
KEGG: Compound ID   C00642
CAS Registry IDs:   156-38-7
PDB Chemical Component   4HP
Miscellaneous Databases and IDs:   Sigma-Aldrich 56140_FLUKA   ChEBI CHEBI:18101   CambridgeSoft Corporation 4818   ChemIDplus 000156387   ChemSpider 13850772   MMDB 59946.6   EINECS 205-851-3   NMRShiftDB 20040753   Beilstein Handbook Reference 4-10-00-00543   ChemDB 3964979   NIST Chemistry WebBook 2161888933

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.