Home Nitriles 2-Methyl-2-p-tolylpropanenitrile

2-Methyl-2-p-tolylpropanenitrile

CAS No.:
40119-34-4
Catalog Number:
AG00C6EL
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
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Product Description
Catalog Number:
AG00C6EL
Chemical Name:
2-Methyl-2-p-tolylpropanenitrile
CAS Number:
40119-34-4
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD11036610
IUPAC Name:
2-methyl-2-(4-methylphenyl)propanenitrile
InChI:
InChI=1S/C11H13N/c1-9-4-6-10(7-5-9)11(2,3)8-12/h4-7H,1-3H3
InChI Key:
VCSBTPVGIGROGB-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)C)(C)C
Properties
Complexity:
188  
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:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties