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18312-32-8 | 13-Docosenoic acid, docosyl ester, (13Z)-
CAS No: 18312-32-8 Catalog No: AG0024F5 MDL No:
Product Description
Catalog Number:
AG0024F5
Chemical Name:
13-Docosenoic acid, docosyl ester, (13Z)-
CAS Number:
18312-32-8
Molecular Formula:
C44H86O2
Molecular Weight:
647.1524
IUPAC Name:
docosyl (Z)-docos-13-enoate
InChI:
InChI=1S/C44H86O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-43H2,1-2H3/b20-18-
InChI Key:
MQSDOCWFPKXZGN-ZZEZOPTASA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
EC Number:
242-201-8
UNII:
681898L9A8
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
646.663g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
647.17g/mol
Monoisotopic Mass:
646.663g/mol
Rotatable Bond Count:
41
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.8
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