Home Nitriles 3-cyclopentyl-3-oxo-2-phenylpropanenitrile

3-cyclopentyl-3-oxo-2-phenylpropanenitrile

CAS No.:
1094230-17-7
Catalog Number:
AG01AAYT
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
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Product Description
Catalog Number:
AG01AAYT
Chemical Name:
3-cyclopentyl-3-oxo-2-phenylpropanenitrile
CAS Number:
1094230-17-7
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
MDL Number:
MFCD11208540
IUPAC Name:
3-cyclopentyl-3-oxo-2-phenylpropanenitrile
InChI:
InChI=1S/C14H15NO/c15-10-13(11-6-2-1-3-7-11)14(16)12-8-4-5-9-12/h1-3,6-7,12-13H,4-5,8-9H2
InChI Key:
HAZKPNSNJYJYRZ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)C(=O)C1CCCC1
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties