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142178-70-9 | Pentacosanoic acid, 23-methyl-
CAS No: 142178-70-9 Catalog No: AG001HVZ MDL No:
Product Description
Catalog Number:
AG001HVZ
Chemical Name:
Pentacosanoic acid, 23-methyl-
CAS Number:
142178-70-9
Molecular Formula:
C26H52O2
Molecular Weight:
396.6899
IUPAC Name:
23-methylpentacosanoic acid
InChI:
InChI=1S/C26H52O2/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/h25H,3-24H2,1-2H3,(H,27,28)
InChI Key:
KETXIYUCVSWJBJ-UHFFFAOYSA-N
SMILES:
CCC(CCCCCCCCCCCCCCCCCCCCCC(=O)O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.397g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.7g/mol
Monoisotopic Mass:
396.397g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
12.2
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