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179268-62-3 | Isooctahexacontane (9CI)
CAS No: 179268-62-3 Catalog No: AG0026VZ MDL No:
Product Description
Catalog Number:
AG0026VZ
Chemical Name:
Isooctahexacontane (9CI)
CAS Number:
179268-62-3
Molecular Formula:
C68H138
Molecular Weight:
955.8233
IUPAC Name:
2-methylheptahexacontane
InChI:
InChI=1S/C68H138/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68(2)3/h68H,4-67H2,1-3H3
InChI Key:
JASDMAPPHMRNGD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
Properties
Complexity:
811
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
955.08g/mol
Formal Charge:
0
Heavy Atom Count:
68
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
955.852g/mol
Monoisotopic Mass:
955.08g/mol
Rotatable Bond Count:
64
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
36.8
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