Caffeic aldehyde

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 5281871
Molecular Formula

C9H8O3

SMILES

C1=CC(=C(C=C1/C=C/C=O)O)O

InChI

InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+

synonyms
  • (2E)-3-(3,4-dihydroxyphenyl)prop-2-enal
  • (2E)-3-(3,4-Dihydroxyphenyl)-2-propenal
  • 872-858-1
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Properties
Property Value
MW 164.16 g/mol
HBD 2
HBA 3
Rotatable Bond Count 2
Exact Mass 164.047344113 g/mol
Monoisotopic Mass 164.047344113 g/mol
Heavy Atom Count 12
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 177
xlogp 1.1
Topological Polar Surface Area 57.5