Home Nitriles Benzenepropanenitrile, a,a-dimethyl-

Benzenepropanenitrile, a,a-dimethyl-

CAS No.:
35863-45-7
Catalog Number:
AG00I73T
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
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Product Description
Catalog Number:
AG00I73T
Chemical Name:
Benzenepropanenitrile, a,a-dimethyl-
CAS Number:
35863-45-7
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD21090520
IUPAC Name:
2,2-dimethyl-3-phenylpropanenitrile
InChI:
InChI=1S/C11H13N/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI Key:
GYAZXRQVMSVZQX-UHFFFAOYSA-N
SMILES:
N#CC(Cc1ccccc1)(C)C
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties