Home Nitriles 1-(3,5-dimethylphenyl)cyclopropane-1-carbonitrile

1-(3,5-dimethylphenyl)cyclopropane-1-carbonitrile

CAS No.:
1154178-67-2
Catalog Number:
AG01C1VX
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
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Product Description
Catalog Number:
AG01C1VX
Chemical Name:
1-(3,5-dimethylphenyl)cyclopropane-1-carbonitrile
CAS Number:
1154178-67-2
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
MDL Number:
MFCD11036662
IUPAC Name:
1-(3,5-dimethylphenyl)cyclopropane-1-carbonitrile
InChI:
InChI=1S/C12H13N/c1-9-5-10(2)7-11(6-9)12(8-13)3-4-12/h5-7H,3-4H2,1-2H3
InChI Key:
LQJOSRLVRNJONX-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1cc(C)cc(c1)C
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.243g/mol
Monoisotopic Mass:
171.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties