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115978-41-1 | Octatetracontane, 17-tetradecyl-
CAS No: 115978-41-1 Catalog No: AG000HA2 MDL No:
Product Description
Catalog Number:
AG000HA2
Chemical Name:
Octatetracontane, 17-tetradecyl-
CAS Number:
115978-41-1
Molecular Formula:
C62H126
Molecular Weight:
871.6638
IUPAC Name:
17-tetradecyloctatetracontane
InChI:
InChI=1S/C62H126/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-46-49-52-55-58-61-62(59-56-53-50-47-44-24-21-18-15-12-9-6-3)60-57-54-51-48-45-42-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3
InChI Key:
DVQGUZIZVDRWNL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
870.986g/mol
Formal Charge:
0
Heavy Atom Count:
62
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
871.69g/mol
Monoisotopic Mass:
870.986g/mol
Rotatable Bond Count:
58
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
33.5
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