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87075-61-4 | 13-Docosenamide,N-(13Z)-13-docosen-1-yl-, (13Z)-
CAS No: 87075-61-4 Catalog No: AG004GDN MDL No:
Product Description
Catalog Number:
AG004GDN
Chemical Name:
13-Docosenamide,N-(13Z)-13-docosen-1-yl-, (13Z)-
CAS Number:
87075-61-4
Molecular Formula:
C44H85NO
Molecular Weight:
644.1518
IUPAC Name:
N-docos-13-enyldocos-13-enamide
InChI:
InChI=1S/C44H85NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-44(46)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3,(H,45,46)
InChI Key:
ABCFHTQGKNXCHE-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
EC Number:
617-951-8
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
643.663g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
644.17g/mol
Monoisotopic Mass:
643.663g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
19.3
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