InCHi String:
InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
canonical and isomeric SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME3-(3,4-dihydroxyphenyl)propanoic acid
PUBCHEM iupac TRADITIONAL NAME3-(3,4-dihydroxyphenyl)propionic acid
PubChem Substance (SID):
111677818 8001576 6922699PubChem Compound (CID):
348154KEGG: Compound ID
C10447CAS Registry IDs: 1078-61-1
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich 102601_ALDRICH
ChEBI CHEBI:48400 NMRShiftDB 20039648
ChemDB 6680258
NIST 1802868986
MMCD cq_07112
MDL MFCD00002776
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.