octadeca-9,12,15-trienoic acid

octadeca-9,12,15-trienoic acid

CAS: 463-40-1

Formula: C18H30O2

SMILES: CCC=CCC=CCC=CCCCCCCCC(O)=O

IUPAC: octadeca-9,12,15-trienoic acid

InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)

Composition: C (77.65%), H (10.86%), O (11.49%)

Molar Mass: 278.436

Atom Count: 50

Heavy Atom Count: 20

Properties

Properties

Common Names	linseed acid
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	278.224580206
Formal Charge	0
FSP3	0.61
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DTOSIQBPPRVQHS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.64
Topological Polar Surface Area	37.3
Polarizability	33.69
Ring Count	0
Rotatable Bond Count	13

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