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90284-45-0 | Cyclopropanecarbonitrile, 2,2-dimethyl-1-phenyl-
CAS No: 90284-45-0 Catalog No: AG006GO2 MDL No:
Product Description
Catalog Number:
AG006GO2
Chemical Name:
Cyclopropanecarbonitrile, 2,2-dimethyl-1-phenyl-
CAS Number:
90284-45-0
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
InChI:
InChI=1S/C12H13N/c1-11(2)8-12(11,9-13)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI Key:
ZRJXCOVHFOLZDE-UHFFFAOYSA-N
SMILES:
N#CC1(CC1(C)C)c1ccccc1
Properties
Complexity:
252
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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