InCHi String:
InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
canonical and isomeric SMILES: C1=CC=C(C(=C1)CCC(=O)O)O
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME3-(2-hydroxyphenyl)propanoic acid
PUBCHEM iupac TRADITIONAL NAME3-(2-hydroxyphenyl)propionic acid
PubChem Substance (SID):
85165131 215100 2936PubChem Compound (CID):
873KEGG: Compound ID
C01198CAS Registry IDs: 495-78-3
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Thomson Pharma 01418127
ChemIDplus 000495783
BioCyc MELILOTATE
ChEBI CHEBI:16104 CambridgeSoft Corporation 6136
Sigma-Aldrich 393533_ALDRICH
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.