Home Nitriles 3,5-Dimethoxybenzoylacetonitrile

3,5-Dimethoxybenzoylacetonitrile

CAS No.:
70988-04-4
Catalog Number:
AG005PDR
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$107
- +
5g
95%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG005PDR
Chemical Name:
3,5-Dimethoxybenzoylacetonitrile
CAS Number:
70988-04-4
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD00158877
IUPAC Name:
3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C11H11NO3/c1-14-9-5-8(11(13)3-4-12)6-10(7-9)15-2/h5-7H,3H2,1-2H3
InChI Key:
LKMXJVUYRSDTPZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C(=O)CC#N
Properties
Complexity:
256  
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:
1.4  
Properties