Phenoxyacetic Acid

Phenoxyacetic Acid bmse000742 - Data

Phenoxyacetic_acid synonyms

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-

Wikipedia:

Graphical representations:

phenoxyacetic_acid

View large 3D structure

Molecular Formula: C8H8O3

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

PubChem Compound (CID): 19188
CAS Registry number: 122-59-8
EPA DSSTox: 33885
ChEBI: CHEBI:8075
ChemIDplus: 000122598
EINECS: 204-556-7
KEGG Compound ID: C02181
NMRShiftDB: 20202484
CCRIS: 7275
Beilstein Handbook Reference: 4-06-00-00634
NIST Chemistry WebBook: 1317314233
MMCD: cq_01375
CAS Registry number: 122-59-8

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)