Home Nitriles 3-cyclopropyl-3-oxo-2-phenylpropanenitrile

3-cyclopropyl-3-oxo-2-phenylpropanenitrile

CAS No.:
1094320-77-0
Catalog Number:
AG01BP3Q
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
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Product Description
Catalog Number:
AG01BP3Q
Chemical Name:
3-cyclopropyl-3-oxo-2-phenylpropanenitrile
CAS Number:
1094320-77-0
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD11208543
IUPAC Name:
3-cyclopropyl-3-oxo-2-phenylpropanenitrile
InChI:
InChI=1S/C12H11NO/c13-8-11(12(14)10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-7H2
InChI Key:
GCPGTXSZKXJMSM-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)C(=O)C1CC1
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties