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methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

CAS: 16326-32-2

Formula: C19H32O2

SMILES: CCCCCC=C/CC=C/CC=C/CCCCC(=O)OC

IUPAC: methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

InChI: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7-,11-10-,14-13-

Composition: C (78.03%), H (11.03%), O (10.94%)

Molar Mass: 292.463

Atom Count: 53

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 292.24023027
Formal Charge 0
FSP3 0.63
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JFRWATCOFCPIBM-JPFHKJGASA-N
Lipinski's Rule of Five
Molar Refractivity 94.4
Topological Polar Surface Area 26.3
Polarizability 35.8
Ring Count 0
Rotatable Bond Count 14

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