Home Other Building Blocks 113522-19-3
113522-19-3,MFCD07700096
Catalog No.:AA0008SR
113522-19-3 | 4-(2-Methoxyphenyl)-4-oxobutyronitrile
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100mg
95%
in stock  
$180.00   $126.00
- +
250mg
95%
in stock  
$300.00   $210.00
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1g
95%
in stock  
$600.00   $420.00
- +
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Technical Information
Catalog Number:
AA0008SR
Chemical Name:
4-(2-Methoxyphenyl)-4-oxobutyronitrile
CAS Number:
113522-19-3
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD07700096
IUPAC Name:
4-(2-methoxyphenyl)-4-oxobutanenitrile
InChI:
InChI=1S/C11H11NO2/c1-14-11-7-3-2-5-9(11)10(13)6-4-8-12/h2-3,5,7H,4,6H2,1H3
InChI Key:
YZDPMHCJJPNPAB-UHFFFAOYSA-N
SMILES:
N#CCCC(=O)c1ccccc1OC
Properties
Computed Properties
 
Complexity:
241  
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:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
4-(2-METHOXYPHENYL)-4-OXOBUTYRONITRILE 
113522-19-3 
BBV-27034506 
TZ000723 
Benzenebutanenitrile, 2-methoxy-gamma-oxo- 
CS-0036858 
4-(2-METHOXYPHENYL)-4-OXOBUTANENITRILE 
CTK4A8340 
KS-00001BHG 
DTXSID90542227 
6145b 
MFCD07700096 
ZINC24863508 
AKOS009624061 
Literature
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