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methyl (13Z)-docos-13-enoate

methyl (13Z)-docos-13-enoate

CAS: 1120-34-9

Formula: C23H44O2

SMILES: CCCCCCCCC=C/CCCCCCCCCCCC(=O)OC

IUPAC: methyl (13Z)-docos-13-enoate

InChI: InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-

Composition: C (78.35%), H (12.58%), O (9.07%)

Molar Mass: 352.603

Atom Count: 69

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 352.334130657
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZYNDJIBBPLNPOW-KHPPLWFESA-N
Lipinski's Rule of Five
Molar Refractivity 110.58
Topological Polar Surface Area 26.3
Polarizability 43.66
Ring Count 0
Rotatable Bond Count 20

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