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(9Z,11E,15Z)-13-oxooctadeca-9,11,15-trienoic acid

(9Z,11E,15Z)-13-oxooctadeca-9,11,15-trienoic acid

CAS: 148981-17-3

Formula: C18H28O3

SMILES: CCC=C/CC(=O)C=CC=C/CCCCCCCC(O)=O

IUPAC: (9Z,11E,15Z)-13-oxooctadeca-9,11,15-trienoic acid

InChI: InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+

Composition: C (73.93%), H (9.65%), O (16.41%)

Molar Mass: 292.419

Atom Count: 49

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 292.203844762
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BNMYUQILBYIYOG-JDTPQGGVSA-N
Lipinski's Rule of Five
Molar Refractivity 90.25
Topological Polar Surface Area 54.37
Polarizability 33.74
Ring Count 0
Rotatable Bond Count 13

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 148981-17-3 $747.50$747.50
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