pendulone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 1
PubChem 5320464
Molecular Formula

C17H16O6

SMILES

COC1=C(C(=O)C(=CC1=O)C2CC3=C(C=C(C=C3)O)OC2)OC

InChI

InChI=1S/C17H16O6/c1-21-16-13(19)7-12(15(20)17(16)22-2)10-5-9-3-4-11(18)6-14(9)23-8-10/h3-4,6-7,10,18H,5,8H2,1-2H3

synonyms
  • Pendulone
  • 69359-09-7
  • 5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
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Properties
Property Value
MW 316.30 g/mol
HBD 1
HBA 6
Rotatable Bond Count 3
Exact Mass 316.09468823 g/mol
Monoisotopic Mass 316.09468823 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 576
xlogp 1.8
Topological Polar Surface Area 82.1