bmse000455 4-Hydroxyphenylacetic acid at BMRB

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4-Hydroxyphenylacetic acid

p-Hydroxyphenyl acetic acid; 4-Hydroxyphenylacetic acid; 4-Hydroxyphenylacetate; (4-Hydroxyphenyl)acetic acid; Parahydroxy phenylacetic acid; 4-Hydroxybenzeneacetic acid; (p-Hydroxyphenyl)acetic acid; P-HYDROXYPHENYLACETIC ACID; 4-HPA; 4-Carboxymethylphenol; Benzeneacetic acid, 4-hydroxy-

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

4-Hydroxyphenylacetic acid

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.