Home Nitriles 3-(3-Nitrophenyl)-3-oxopropanenitrile

3-(3-Nitrophenyl)-3-oxopropanenitrile

CAS No.:
21667-64-1
Catalog Number:
AG00C3E9
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$151
- +
1g
98%
In Stock USA
United States
$287
- +
Product Description
Catalog Number:
AG00C3E9
Chemical Name:
3-(3-Nitrophenyl)-3-oxopropanenitrile
CAS Number:
21667-64-1
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD00067918
IUPAC Name:
3-(3-nitrophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H6N2O3/c10-5-4-9(12)7-2-1-3-8(6-7)11(13)14/h1-3,6H,4H2
InChI Key:
OTZUXMACTFIJAZ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties