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113817-23-5 | Pentacosane, 3,23-dimethyl-
CAS No: 113817-23-5 Catalog No: AG0009S5 MDL No:
Product Description
Catalog Number:
AG0009S5
Chemical Name:
Pentacosane, 3,23-dimethyl-
CAS Number:
113817-23-5
Molecular Formula:
C27H56
Molecular Weight:
380.7335
IUPAC Name:
3,23-dimethylpentacosane
InChI:
InChI=1S/C27H56/c1-5-26(3)24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27(4)6-2/h26-27H,5-25H2,1-4H3
InChI Key:
XISASXVUOSGRJH-UHFFFAOYSA-N
SMILES:
CCC(CCCCCCCCCCCCCCCCCCCC(CC)C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.438g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.745g/mol
Monoisotopic Mass:
380.438g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3
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