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114749-95-0 | Heptatriacontane, 13,19,23-trimethyl-
CAS No: 114749-95-0 Catalog No: AG000F5F MDL No:
Product Description
Catalog Number:
AG000F5F
Chemical Name:
Heptatriacontane, 13,19,23-trimethyl-
CAS Number:
114749-95-0
Molecular Formula:
C40H82
Molecular Weight:
563.0791
IUPAC Name:
13,19,23-trimethylheptatriacontane
InChI:
InChI=1S/C40H82/c1-6-8-10-12-14-16-18-19-21-23-25-28-33-39(4)36-31-37-40(5)35-30-26-29-34-38(3)32-27-24-22-20-17-15-13-11-9-7-2/h38-40H,6-37H2,1-5H3
InChI Key:
ZISJMUBCUXQKTR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(CCCC(CCCCCC(CCCCCCCCCCCC)C)C)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
562.642g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
563.096g/mol
Monoisotopic Mass:
562.642g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
21
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