bmse000742 phenoxyacetic acid at BMRB

phenoxyacetic acid

Glycolic acid, phenyl ether; Acide phenoxyacetique; Phenoxyessigsaeure; POA; o-Phenylglycolic acid; Acetic acid, phenoxy-; phenoxyethanoic acid; Glycolic acid phenyl ether; Phenoxyethanoic acid; Acide phenoxyacetique [French]; Phenylglycolic acid, O-

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

phenoxyacetic acid

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

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-phenoxyacetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-phenoxyethanoic acid

PubChem Substance (SID):   111677873   5253   10505842
PubChem Compound (CID):   19188
KEGG: Compound ID   C02181
CAS Registry IDs:   122-59-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   EPA DSSTox 33885   ChEBI CHEBI:8075   ChemIDplus 000122598   EINECS 204-556-7   NMRShiftDB 20202484   CCRIS 7275   Beilstein Handbook Reference 4-06-00-00634   NIST Chemistry WebBook 1317314233   MMCD cq_01375   CAS 122-59-8

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.