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7667-76-7 | Henpentacontane
CAS No: 7667-76-7 Catalog No: AG005J4R MDL No:
Product Description
Catalog Number:
AG005J4R
Chemical Name:
Henpentacontane
CAS Number:
7667-76-7
Molecular Formula:
C51H104
Molecular Weight:
717.3715
IUPAC Name:
henpentacontane
InChI:
InChI=1S/C51H104/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-51H2,1-2H3
InChI Key:
SDYMTLBNWUITTQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
716.814g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
717.393g/mol
Monoisotopic Mass:
716.814g/mol
Rotatable Bond Count:
48
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
27.2
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