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81468-97-5 | Octacosane, 6-methyl-
CAS No: 81468-97-5 Catalog No: AG005KJN MDL No:
Product Description
Catalog Number:
AG005KJN
Chemical Name:
Octacosane, 6-methyl-
CAS Number:
81468-97-5
Molecular Formula:
C29H60
Molecular Weight:
408.7867
IUPAC Name:
6-methyloctacosane
InChI:
InChI=1S/C29H60/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-29(3)27-25-7-5-2/h29H,4-28H2,1-3H3
InChI Key:
FHJCXUYAUUQTPJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(CCCCC)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.47g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.799g/mol
Monoisotopic Mass:
408.47g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
15.6
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