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86164-70-7 | Propanedinitrile, methylphenyl-
CAS No: 86164-70-7 Catalog No: AG004OLA MDL No:MFCD07780267
Product Description
Catalog Number:
AG004OLA
Chemical Name:
Propanedinitrile, methylphenyl-
CAS Number:
86164-70-7
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
MDL Number:
MFCD07780267
IUPAC Name:
2-methyl-2-phenylpropanedinitrile
InChI:
InChI=1S/C10H8N2/c1-10(7-11,8-12)9-5-3-2-4-6-9/h2-6H,1H3
InChI Key:
OVNAXCXOVBKVGL-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)(C#N)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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