Home Nitriles 3,4-Dimethoxybenzoylacetonitrile

3,4-Dimethoxybenzoylacetonitrile

CAS No.:
4640-69-1
Catalog Number:
AG00D8GL
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG00D8GL
Chemical Name:
3,4-Dimethoxybenzoylacetonitrile
CAS Number:
4640-69-1
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD02260783
IUPAC Name:
3-(3,4-dimethoxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C11H11NO3/c1-14-10-4-3-8(7-11(10)15-2)9(13)5-6-12/h3-4,7H,5H2,1-2H3
InChI Key:
JFSNSYKHZRHIGE-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(c(c1)OC)OC
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties