bmse000715 2-hydroxyphenylacetic acid at BMRB

2-hydroxyphenylacetic acid

2-Hydroxyphenylacetate; Benzeneacetic acid, 2-hydroxy-; 2-Hydroxyphenylacetic acid; (2-HYDROXYPHENYL)-ACETIC ACID; benzeneacetic acid, 2-hydroxy-; (2-hydroxyphenyl)acetic acid; Acetic acid, (o-hydroxyphenyl)-

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

2-hydroxyphenylacetic acid

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

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

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

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

PubChem Substance (SID):   111677847   10529849   24895662
PubChem Compound (CID):   11970
KEGG: Compound ID   C05852
CAS Registry IDs:   614-75-5
PDB Chemical Component   OHP
Miscellaneous Databases and IDs:   Sigma-Aldrich H49804_ALDRICH   NMRShiftDB 10008771   NIST Chemistry WebBook 3011688727   NIST 3011688727   MMCD cq_03293   MDL MFCD00004323

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.