BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

hydrocinnamic acid

Graphical representations:

hydrocinnamic acid image

Molecular Formula: C9 H10 O2

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)

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

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
3-phenylpropanoic acid

PUBCHEM iupac TRADITIONAL NAME
hydrocinnamic acid

PubChem Substance (SID):   111677813   85364669   46393251
PubChem Compound (CID):   107
KEGG: Compound ID   C05629
CAS Registry IDs:   501-52-0
PDB Chemical Component   HCI
Miscellaneous Databases and IDs:   Sigma-Aldrich 135232_ALDRICH   ChEBI CHEBI:165403   Shanghai Institute of Organic Chemistry 1toj   NMRShiftDB 20096530   MMCD cq_03158   MDL MFCD00002771

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.