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88103-58-6 | 13-Docosenoic acid, 2-hexyldecyl ester, (Z)-
CAS No: 88103-58-6 Catalog No: AG004EAK MDL No:
Product Description
Catalog Number:
AG004EAK
Chemical Name:
13-Docosenoic acid, 2-hexyldecyl ester, (Z)-
CAS Number:
88103-58-6
Molecular Formula:
C38H74O2
Molecular Weight:
562.9930
IUPAC Name:
2-hexyldecyl docos-13-enoate
InChI:
InChI=1S/C38H74O2/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-32-35-38(39)40-36-37(33-30-12-9-6-3)34-31-28-14-11-8-5-2/h18-19,37H,4-17,20-36H2,1-3H3
InChI Key:
IXJLAWLHOULSTF-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCC
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
562.569g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
563.008g/mol
Monoisotopic Mass:
562.569g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
17.2
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