Home Nitriles 3,3-Dimethoxypropanenitrile

3,3-Dimethoxypropanenitrile

CAS No.:
57597-62-3
Catalog Number:
AG003ID2
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
93%
In Stock USA
United States
$150
- +
5g
93%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003ID2
Chemical Name:
3,3-Dimethoxypropanenitrile
CAS Number:
57597-62-3
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
MDL Number:
MFCD00044797
IUPAC Name:
3,3-dimethoxypropanenitrile
InChI:
InChI=1S/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3
InChI Key:
JYHSJQNYYLGMEI-UHFFFAOYSA-N
SMILES:
COC(CC#N)OC
EC Number:
260-842-1
Properties
Complexity:
89.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
An unusual Michael addition of 3,3-dimethoxypropanenitrile to 2-aryl acrylates: a convenient route to 4-unsubstituted 5,6-dihydropyrido[2,3-d]pyrimidines. The Journal of organic chemistry 20100115
Properties