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86489-57-8 | Propanedinitrile, (2,4,6-trimethylphenyl)-
CAS No: 86489-57-8 Catalog No: AG004M11 MDL No:
Product Description
Catalog Number:
AG004M11
Chemical Name:
Propanedinitrile, (2,4,6-trimethylphenyl)-
CAS Number:
86489-57-8
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
2-(2,4,6-trimethylphenyl)propanedinitrile
InChI:
InChI=1S/C12H12N2/c1-8-4-9(2)12(10(3)5-8)11(6-13)7-14/h4-5,11H,1-3H3
InChI Key:
AWBARRZDWMPKEU-UHFFFAOYSA-N
SMILES:
N#CC(c1c(C)cc(cc1C)C)C#N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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