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126201-34-1 | 5,9-Pentacosadienoic acid, 23-methyl-, (5Z,9Z)-
CAS No: 126201-34-1 Catalog No: AG000SCD MDL No:
Product Description
Catalog Number:
AG000SCD
Chemical Name:
5,9-Pentacosadienoic acid, 23-methyl-, (5Z,9Z)-
CAS Number:
126201-34-1
Molecular Formula:
C26H48O2
Molecular Weight:
392.6581
IUPAC Name:
23-methylpentacosa-5,9-dienoic acid
InChI:
InChI=1S/C26H48O2/c1-3-25(2)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h8,10,16,18,25H,3-7,9,11-15,17,19-24H2,1-2H3,(H,27,28)
InChI Key:
AMUGDUPSOQKGLS-UHFFFAOYSA-N
SMILES:
CCC(CCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.365g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.668g/mol
Monoisotopic Mass:
392.365g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
10.4
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