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methyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

methyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

CAS: 14602-39-2

Formula: C21H36O2

SMILES: CCCCCCCCC=C/CC=C/CC=C/CCCC(=O)OC

IUPAC: methyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

InChI: InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3/b11-10-,14-13-,17-16-

Composition: C (78.70%), H (11.32%), O (9.98%)

Molar Mass: 320.517

Atom Count: 59

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 320.271530399
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AESHPAQQBZWZMS-NWFXIAEYSA-N
Lipinski's Rule of Five
Molar Refractivity 103.61
Topological Polar Surface Area 26.3
Polarizability 39.49
Ring Count 0
Rotatable Bond Count 16

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 14602-39-2 $85.10-$614.10$85.10$350.75$614.10
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