dehydroacetic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 480
Total Number of Articles : 485
PubChem 122903
Molecular Formula

C8H8O4

SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)C

InChI

InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3

synonyms
  • DEHYDROACETIC ACID
  • 520-45-6
  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione
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Properties
Property Value
MW 168.15 g/mol
HBD 0
HBA 4
Rotatable Bond Count 1
Exact Mass 168.04225873 g/mol
Monoisotopic Mass 168.04225873 g/mol
Heavy Atom Count 12
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 287
xlogp 0.3
Topological Polar Surface Area 60.4