BMRB

Biological Magnetic Resonance Data Bank


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

Tropic acid

Graphical representations:

Tropic acid image

Molecular Formula: C9 H10 O3

Natural Isotopic Abundance Mass: 166.1739

Mono-Isotopic Molecular Masses:

  • C12N14: 166.0629941873
  • C13N14: 175.0931877275
  • C12N15: 166.0629941873
  • C13N15: 175.0931877275

InCHi String: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
3-hydroxy-2-phenylpropanoic acid

PUBCHEM iupac TRADITIONAL NAME
3-hydroxy-2-phenyl-propionic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
3-hydroxy-2-phenyl-propanoic acid

PubChem Substance (SID):   85165205   213289   11533260
PubChem Compound (CID):   10726
KEGG: Compound ID   C01456
CAS Registry IDs:   529-64-6   552-63-6   28845-94-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich T89206_ALDRICH   ChEBI CHEBI:30765   ChemIDplus 000552636   ChemSpider 10274   EINECS 208-465-3   CambridgeSoft Corporation 9937   NIST Chemistry WebBook 444981734

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.