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13706-68-8 | Butanedinitrile, 2-phenyl-
CAS No: 13706-68-8 Catalog No: AG0012SL MDL No:
Product Description
Catalog Number:
AG0012SL
Chemical Name:
Butanedinitrile, 2-phenyl-
CAS Number:
13706-68-8
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
IUPAC Name:
2-phenylbutanedinitrile
InChI:
InChI=1S/C10H8N2/c11-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6H2
InChI Key:
PERNOSOTUDEXCY-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)CC#N
Properties
Complexity:
221
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:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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