Home Nitriles 5-(4-methylphenyl)-5-oxopentanenitrile

5-(4-methylphenyl)-5-oxopentanenitrile

CAS No.:
88636-41-3
Catalog Number:
AG01AFBD
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
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Product Description
Catalog Number:
AG01AFBD
Chemical Name:
5-(4-methylphenyl)-5-oxopentanenitrile
CAS Number:
88636-41-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD00464539
IUPAC Name:
5-(4-methylphenyl)-5-oxopentanenitrile
InChI:
InChI=1S/C12H13NO/c1-10-5-7-11(8-6-10)12(14)4-2-3-9-13/h5-8H,2-4H2,1H3
InChI Key:
ONYGGMPQUGWDMY-UHFFFAOYSA-N
SMILES:
N#CCCCC(=O)c1ccc(cc1)C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties