coniferaldehyde

• coniferaldehyde
• bmse000601 - data
• bmse010076 - data

InCHi String:
InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+

canonical SMILES:
COC1=C(C=CC(=C1)C=CC=O)O
isomeric SMILES:
COC1=C(C=CC(=C1)/C=C/C=O)O


PUBCHEM iupac NAME
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal

PUBCHEM iupac TRADITIONAL NAME
(E)-3-(4-hydroxy-3-methoxy-phenyl)acrolein

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal

PUBCHEM iupac CAS NAME
(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenal



PubChem Substance (SID):   111677754   8143515   39289633
PubChem Compound (CID):   5280536
KEGG: Compound ID   C02666
CAS Registry IDs:   458-36-6
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:16547   ChemSpider 4444167   NMRShiftDB 20040739   NIST Chemistry WebBook 469449989   MMCD cq_01629