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7719-90-6 | HEPTAHEXACONTANE
CAS No: 7719-90-6 Catalog No: AG00557D MDL No:
Product Description
Catalog Number:
AG00557D
Chemical Name:
HEPTAHEXACONTANE
CAS Number:
7719-90-6
Molecular Formula:
C67H136
Molecular Weight:
941.7967
IUPAC Name:
heptahexacontane
InChI:
InChI=1S/C67H136/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-67H2,1-2H3
InChI Key:
UCWJLUYVHHOFDC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
941.064g/mol
Formal Charge:
0
Heavy Atom Count:
67
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
941.825g/mol
Monoisotopic Mass:
941.064g/mol
Rotatable Bond Count:
64
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
35.9
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