Home Nitriles 2-Methyl-3-oxobutanenitrile

2-Methyl-3-oxobutanenitrile

CAS No.:
4468-47-7
Catalog Number:
AG00DE9W
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$63
- +
1g
95%
In Stock USA
United States
$119
- +
5g
95%
In Stock USA
United States
$494
- +
10g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00DE9W
Chemical Name:
2-Methyl-3-oxobutanenitrile
CAS Number:
4468-47-7
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
MDL Number:
MFCD06797631
IUPAC Name:
2-methyl-3-oxobutanenitrile
InChI:
InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3
InChI Key:
AMQCWPDDXYOEER-UHFFFAOYSA-N
SMILES:
CC(C(=O)C)C#N
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties