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83474-12-8 | 5,9-Hexacosadienoic acid, 25-methyl-, (Z,Z)-
CAS No: 83474-12-8 Catalog No: AG004RDB MDL No:
Product Description
Catalog Number:
AG004RDB
Chemical Name:
5,9-Hexacosadienoic acid, 25-methyl-, (Z,Z)-
CAS Number:
83474-12-8
Molecular Formula:
C27H50O2
Molecular Weight:
406.6847
IUPAC Name:
25-methylhexacosa-5,9-dienoic acid
InChI:
InChI=1S/C27H50O2/c1-26(2)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27(28)29/h9,11,17,19,26H,3-8,10,12-16,18,20-25H2,1-2H3,(H,28,29)
InChI Key:
DNEGLXLXJLONIP-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.381g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.695g/mol
Monoisotopic Mass:
406.381g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
10.9
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