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85046-06-6 | Pentatriacontane, 13,23-dimethyl-
CAS No: 85046-06-6 Catalog No: AG004ZI3 MDL No:
Product Description
Catalog Number:
AG004ZI3
Chemical Name:
Pentatriacontane, 13,23-dimethyl-
CAS Number:
85046-06-6
Molecular Formula:
C37H76
Molecular Weight:
520.9993
IUPAC Name:
13,23-dimethylpentatriacontane
InChI:
InChI=1S/C37H76/c1-5-7-9-11-13-15-17-20-24-28-32-36(3)34-30-26-22-19-23-27-31-35-37(4)33-29-25-21-18-16-14-12-10-8-6-2/h36-37H,5-35H2,1-4H3
InChI Key:
ZTXOMIYTNXPEFM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(CCCCCCCCCC(CCCCCCCCCCCC)C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.595g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
521.015g/mol
Monoisotopic Mass:
520.595g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
19.7
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