Home Nitriles 2-Methoxybenzoylacetonitrile

2-Methoxybenzoylacetonitrile

CAS No.:
35276-83-6
Catalog Number:
AG003HJV
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$35
- +
5g
96%
In Stock USA
United States
$125
- +
10g
96%
In Stock USA
United States
$225
- +
25g
96%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003HJV
Chemical Name:
2-Methoxybenzoylacetonitrile
CAS Number:
35276-83-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD01993554
IUPAC Name:
3-(2-methoxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H9NO2/c1-13-10-5-3-2-4-8(10)9(12)6-7-11/h2-5H,6H2,1H3
InChI Key:
VJOMMMVJTFRJAT-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccccc1OC
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties