Hydrocinnamic Acid

Hydrocinnamic Acid bmse000675 - Data

Hydrocinnamic_acid synonyms

PHENYL PROPIONIC ACID; 3-Phenyl-propionic acid; Hydrocinnamic acid; Phenylpropanoate; Benzylacetic acid; 3-Phenylpropanoic acid; 3-Phenylpropionic acid; 3-PHENYLPROPIONIC ACID3-Phenyl-propionic acid

Wikipedia:

Graphical representations:

hydrocinnamic_acid

View large 3D structure

Molecular Formula: C9H10O2

Natural Isotopic Abundance Mass: 150.1745

Mono-Isotopic Molecular Masses:

  • C12N14: 150.0680795652
  • C13N14: 159.0982731054
  • C12N15: 150.0680795652
  • C13N15: 159.0982731054

InChI string: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

PubChem Compound (CID): 107
CAS Registry number: 501-52-0
Sigma-Aldrich: 135232_ALDRICH
ChEBI: CHEBI:165403
Shanghai Institute of Organic Chemistry: 1toj
KEGG Compound ID: C05629
NMRShiftDB: 20096530
MMCD: cq_03158
MDL: MFCD00002771
PDB Compound ID: HCI

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)