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(6Z,9Z,12Z)-hexadeca-6,9,12-trienoic acid

(6Z,9Z,12Z)-hexadeca-6,9,12-trienoic acid

CAS: 29428-96-4

Formula: C16H26O2

SMILES: CCCC=C/CC=C/CC=C/CCCCC(O)=O

IUPAC: (6Z,9Z,12Z)-hexadeca-6,9,12-trienoic acid

InChI: InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)/b5-4-,8-7-,11-10-

Composition: C (76.75%), H (10.47%), O (12.78%)

Molar Mass: 250.382

Atom Count: 44

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 250.193280077
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SBEXLJDCZSJDLW-YSTUJMKBSA-N
Lipinski's Rule of Five
Molar Refractivity 80.43
Topological Polar Surface Area 37.3
Polarizability 30
Ring Count 0
Rotatable Bond Count 11

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