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ISOCHAVINIC-ACID
PubChem ID
13001421
Chemical Name
ISOCHAVINIC-ACID
Molecular Formula
C
12
H
10
O
4
Canonical SMILES
C1OC2=C(O1)C=C(C=C2)C=CC=CC(=O)O
IUPAC Name
(2E,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Molecular Weight
218.208 g/mol
XLogP
2.7
Rotatable Bond Count
3
Lipinsky's Rule of Five
Yes
Sources
Black pepper
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2D SDF
3D SDF
mol
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