Home Other Building Blocks Methyl 2-cyano-2,2-dimethylacetate

Methyl 2-cyano-2,2-dimethylacetate

CAS No.:
72291-30-6
Catalog Number:
AG003562
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$35
- +
25g
≥95%
In Stock USA
United States
$103
- +
100g
98%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG003562
Chemical Name:
Methyl 2-cyano-2,2-dimethylacetate
CAS Number:
72291-30-6
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD03428328
IUPAC Name:
methyl 2-cyano-2-methylpropanoate
InChI:
InChI=1S/C6H9NO2/c1-6(2,4-7)5(8)9-3/h1-3H3
InChI Key:
TZPHOIMASXVLQZ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C#N)(C)C
EC Number:
615-749-4
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
2-Cyano-2-methyl-propanamide. Acta crystallographica. Section E, Structure reports online 20120401
Properties