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(4Z)-docosa-4,10,13,16-tetraenoic acid

(4Z)-docosa-4,10,13,16-tetraenoic acid

CAS: 122068-08-0

Formula: C22H36O2

SMILES: CCCCCC=CCC=CCC=CCCCCC=C/CCC(O)=O

IUPAC: (4Z)-docosa-4,10,13,16-tetraenoic acid

InChI: InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17,20-21H2,1H3,(H,23,24)/b7-6?,10-9?,13-12?,19-18-

Composition: C (79.46%), H (10.91%), O (9.62%)

Molar Mass: 332.528

Atom Count: 60

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 332.271530399
Formal Charge 0
FSP3 0.59
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DFNQVYRKLOONGO-ZBZAHJNBSA-N
Lipinski's Rule of Five
Molar Refractivity 109.16
Topological Polar Surface Area 37.3
Polarizability 40.84
Ring Count 0
Rotatable Bond Count 16

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 122068-08-0 $35.65-$240.35$35.65$129.95$240.35
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