4-oxoretinoic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 20
Total Number of Articles : 26
PubChem 6437063
Molecular Formula

C20H26O3

SMILES

CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C

InChI

InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+

synonyms
  • 4-Oxoretinoic acid
  • all-trans-4-oxoretinoic acid
  • 4-Ketoretinoic acid
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Properties
Property Value
MW 314.4 g/mol
HBD 1
HBA 3
Rotatable Bond Count 5
Exact Mass 314.18819469 g/mol
Monoisotopic Mass 314.18819469 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 638
xlogp 4.8
Topological Polar Surface Area 54.4