InCHi String:
InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+
canonical SMILES: C1=CC(=CC=C1C=CC=O)O
isomeric SMILES: C1=CC(=CC=C1/C=C/C=O)O
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME(E)-3-(4-hydroxyphenyl)prop-2-enal
PUBCHEM iupac TRADITIONAL NAME(E)-3-(4-hydroxyphenyl)acrolein
PUBCHEM iupac CAS NAME(E)-3-(4-hydroxyphenyl)-2-propenal
PubChem Substance (SID):
85165379 57390351 593924PubChem Compound (CID):
641301KEGG: Compound ID
C05608CAS Registry IDs: n/a
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
NMRShiftDB 10024834
BioCyc COUMARALDEHYDE
MMCD cq_03147
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
