InCHi String:
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
isomeric SMILES: COC1=C(C=CC(=C1)\C=C\C(=O)O)O
PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
PUBCHEM iupac TRADITIONAL NAME(E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid
PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
PubChem Substance (SID):
111677742 8145504 588504PubChem Compound (CID):
445858KEGG: Compound ID
C01494CAS Registry IDs: 1135-24-6 97274-61-8
PDB Chemical Component
FERMiscellaneous Databases and IDs:
Sigma-Aldrich 46278_FLUKA
ChEBI CHEBI:17620 ChemIDplus 097274618
ChemSpider 393368
MMDB 52625.5
CCRIS 7575
NMRShiftDB 10009240
CambridgeSoft Corporation 3550
NIST Chemistry WebBook 1973712778
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
