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19149-85-0 | Dodecanoic acid, (9Z)-9-octadecen-1-yl ester
CAS No: 19149-85-0 Catalog No: AG002FA9 MDL No:
Product Description
Catalog Number:
AG002FA9
Chemical Name:
Dodecanoic acid, (9Z)-9-octadecen-1-yl ester
CAS Number:
19149-85-0
Molecular Formula:
C30H58O2
Molecular Weight:
450.7803
IUPAC Name:
[(Z)-octadec-9-enyl] dodecanoate
InChI:
InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h15-16H,3-14,17-29H2,1-2H3/b16-15-
InChI Key:
UGHVFDVVZRNMHY-NXVVXOECSA-N
SMILES:
CCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCCCCCC
EC Number:
242-842-3
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
450.444g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.792g/mol
Monoisotopic Mass:
450.444g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.2
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