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139729-95-6 | Heptacosanoic acid, 2-hydroxy-
CAS No: 139729-95-6 Catalog No: AG001BME MDL No:
Product Description
Catalog Number:
AG001BME
Chemical Name:
Heptacosanoic acid, 2-hydroxy-
CAS Number:
139729-95-6
Molecular Formula:
C27H54O3
Molecular Weight:
426.7159
IUPAC Name:
2-hydroxyheptacosanoic acid
InChI:
InChI=1S/C27H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(28)27(29)30/h26,28H,2-25H2,1H3,(H,29,30)
InChI Key:
ZFPIEBUFHZZBPX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.407g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
426.726g/mol
Monoisotopic Mass:
426.407g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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