xanthatin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 54
Total Number of Articles : 27
PubChem 5281511
Molecular Formula

C15H18O3

SMILES

C[C@H]1C[C@H]2[C@H](CC=C1/C=C/C(=O)C)C(=C)C(=O)O2

InChI

InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1

synonyms
  • Xanthatin
  • 26791-73-1
  • (-)-Xanthatin
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Properties
Property Value
MW 246.30 g/mol
HBD 0
HBA 3
Rotatable Bond Count 2
Exact Mass 246.125594432 g/mol
Monoisotopic Mass 246.125594432 g/mol
Heavy Atom Count 18
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 456
xlogp 2.1
Topological Polar Surface Area 43.4