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19773-50-3 | 13-Docosenoic acid, 2-methylpropyl ester, (13Z)-
CAS No: 19773-50-3 Catalog No: AG002B05 MDL No:
Product Description
Catalog Number:
AG002B05
Chemical Name:
13-Docosenoic acid, 2-methylpropyl ester, (13Z)-
CAS Number:
19773-50-3
Molecular Formula:
C26H50O2
Molecular Weight:
394.6740
IUPAC Name:
2-methylpropyl (Z)-docos-13-enoate
InChI:
InChI=1S/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)28-24-25(2)3/h11-12,25H,4-10,13-24H2,1-3H3/b12-11-
InChI Key:
VTAMRSRSTWWDEQ-QXMHVHEDSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(C)C
EC Number:
243-290-6
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
394.381g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.684g/mol
Monoisotopic Mass:
394.381g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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