acetovanillone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 414
Total Number of Articles : 551
PubChem 2214
Molecular Formula

C9H10O3

SMILES

CC(=O)C1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3

synonyms
  • Acetovanillone
  • apocynin
  • 498-02-2
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Properties
Property Value
MW 166.17 g/mol
HBD 1
HBA 3
Rotatable Bond Count 2
Exact Mass 166.062994177 g/mol
Monoisotopic Mass 166.062994177 g/mol
Heavy Atom Count 12
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 167
xlogp 0.5
Topological Polar Surface Area 46.5