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148639-29-6 | 1,2-Benzenedicarbonitrile, 4,5-dihexyl-
CAS No: 148639-29-6 Catalog No: AG001L35 MDL No:
Product Description
Catalog Number:
AG001L35
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-dihexyl-
CAS Number:
148639-29-6
Molecular Formula:
C20H28N2
Molecular Weight:
296.4497
IUPAC Name:
4,5-dihexylbenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C20H28N2/c1-3-5-7-9-11-17-13-19(15-21)20(16-22)14-18(17)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key:
MJKLSPFIQBULPV-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(C#N)c(cc1CCCCCC)C#N
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.225g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.458g/mol
Monoisotopic Mass:
296.225g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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