bmse000339 3-hydroxyphenylacetic acid at BMRB

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3-hydroxyphenylacetic acid

3-Hydroxybenzeneacetic acid; 3-Hydroxyphenylacetic acid; 3-hydroxyphenylacetic acid; 3-Hydroxyphenylacetate; Metahydroxy phenylacetic acid; (m-Hydroxyphenyl)acetic acid; (3-hydroxyphenyl)acetic acid; Acetic acid, (m-hydroxyphenyl)- (8CI); Benzeneacetic acid, 3-hydroxy- (9CI); Benzeneacetic acid, 3-hydroxy-; Acetic acid, (m-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

3-hydroxyphenylacetic acid

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

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.