2-phenylbutyric Acid

2-phenylbutyric Acid bmse000617 - Data

2_phenylbutyric_acid synonyms

2-Phenylbutanoic acid; (+/-)-2-Phenylbutyric acid; Benzeneacetic acid, .alpha.-ethyl-; Butyric acid, 2-phenyl-; 2-Phenylbutyric acid; alpha-Ethylphenylacetic acid

Wikipedia:

Graphical representations:

2_phenylbutyric_acid

View large 3D structure

Molecular Formula: C10H12O2

Natural Isotopic Abundance Mass: 164.20108

Mono-Isotopic Molecular Masses:

  • C12N14: 164.0837296294
  • C13N14: 174.1172780074
  • C12N15: 164.0837296294
  • C13N15: 174.1172780074

InChI string: InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/t9-/m0/s1

PubChem Compound (CID): 7012
CAS Registry number: 90-27-7
Sigma-Aldrich: P20955_ALDRICH
KEGG Compound ID: P20955_ALDRICH
DTP/NCI: 1860
NIST: 329910842
MMCD: cq_10540
MDL: MFCD00002667

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)