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Chemical structure of 9,12-Octadecadiynoic Acid

GC14302

9,12-Octadecadiynoic Acid

Also known as octadeca-9,12-diynoic acid

9,12-Octadecadiynoic Acid (9a,12a-Octadecadiynoic acid) is a plant lipoxygenase inhibitor

ChemicalCAS2012-14-8MW276.4FormulaC18H28O2
CAS number
2012-14-8
Molecular weight
276.4
Formula
C18H28O2
Solubility
≤10mg/ml in ethanol;10mg/ml in DMSO;10mg/ml in methanol;10mg/ml in acetone;10mg/ml in acetonitrile
InChIKey
KDYILQLPKVZDGB-UHFFFAOYSA-N
Catalogue number
GC14302
Brand
GLPBIO
Computed properties PubChem CID 1931 · XLogP 6.3 · TPSA 37.3 Ų · H-bond donors 1
XLogP
6.3
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
20

SMILES CCCCCC#CCC#CCCCCCCCC(=O)O

Computed descriptors from PubChem (CID 1931), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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