Home Nitriles 2-(4-methylphenyl)-3-oxobutanenitrile

2-(4-methylphenyl)-3-oxobutanenitrile

CAS No.:
27243-91-0
Catalog Number:
AG01BV3P
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
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Product Description
Catalog Number:
AG01BV3P
Chemical Name:
2-(4-methylphenyl)-3-oxobutanenitrile
CAS Number:
27243-91-0
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD13811203
IUPAC Name:
2-(4-methylphenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C11H11NO/c1-8-3-5-10(6-4-8)11(7-12)9(2)13/h3-6,11H,1-2H3
InChI Key:
QWWANUDFLOXOCB-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)C)C(=O)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:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties