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121691-14-3 | Pentatriacontane, 9,13,17-trimethyl-
CAS No: 121691-14-3 Catalog No: AG0015KS MDL No:
Product Description
Catalog Number:
AG0015KS
Chemical Name:
Pentatriacontane, 9,13,17-trimethyl-
CAS Number:
121691-14-3
Molecular Formula:
C38H78
Molecular Weight:
535.0259
IUPAC Name:
9,13,17-trimethylpentatriacontane
InChI:
InChI=1S/C38H78/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-31-37(4)33-29-35-38(5)34-28-32-36(3)30-26-24-13-11-9-7-2/h36-38H,6-35H2,1-5H3
InChI Key:
JCJHNHFOHOZSMM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC(CCCC(CCCC(CCCCCCCC)C)C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.61g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
535.042g/mol
Monoisotopic Mass:
534.61g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
19.9
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