Home Nitriles 3-oxo-3-(1-phenylcyclopropyl)propanenitrile

3-oxo-3-(1-phenylcyclopropyl)propanenitrile

CAS No.:
485827-87-0
Catalog Number:
AG01C5KA
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
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Product Description
Catalog Number:
AG01C5KA
Chemical Name:
3-oxo-3-(1-phenylcyclopropyl)propanenitrile
CAS Number:
485827-87-0
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD17240176
IUPAC Name:
3-oxo-3-(1-phenylcyclopropyl)propanenitrile
InChI:
InChI=1S/C12H11NO/c13-9-6-11(14)12(7-8-12)10-4-2-1-3-5-10/h1-5H,6-8H2
InChI Key:
HLZFHBWEAWBWRN-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1(CC1)c1ccccc1
Properties
Complexity:
276  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties