Home Nitriles 2-(3-methoxyphenyl)-3-oxobutanenitrile

2-(3-methoxyphenyl)-3-oxobutanenitrile

CAS No.:
25594-66-5
Catalog Number:
AG01BXEG
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
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Product Description
Catalog Number:
AG01BXEG
Chemical Name:
2-(3-methoxyphenyl)-3-oxobutanenitrile
CAS Number:
25594-66-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00218258
IUPAC Name:
2-(3-methoxyphenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C11H11NO2/c1-8(13)11(7-12)9-4-3-5-10(6-9)14-2/h3-6,11H,1-2H3
InChI Key:
DXKKQRWUBKFFBE-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)OC)C(=O)C
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties