xanthoxyline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 2
PubChem 66654
Molecular Formula

C10H12O4

SMILES

CC(=O)C1=C(C=C(C=C1OC)OC)O

InChI

InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3

synonyms
  • Xanthoxylin
  • 90-24-4
  • 2'-Hydroxy-4',6'-dimethoxyacetophenone
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Properties
Property Value
MW 196.20 g/mol
HBD 1
HBA 4
Rotatable Bond Count 3
Exact Mass 196.07355886 g/mol
Monoisotopic Mass 196.07355886 g/mol
Heavy Atom Count 14
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 204
xlogp 1.7
Topological Polar Surface Area 55.8