Home Other Building Blocks Isopropyl 2-cyanoacetate

Isopropyl 2-cyanoacetate

CAS No.:
13361-30-3
Catalog Number:
AG003R4V
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$115
- +
500g
98%
In Stock USA
United States
$236
- +
Product Description
Catalog Number:
AG003R4V
Chemical Name:
Isopropyl 2-cyanoacetate
CAS Number:
13361-30-3
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD00019842
IUPAC Name:
propan-2-yl 2-cyanoacetate
InChI:
InChI=1S/C6H9NO2/c1-5(2)9-6(8)3-4-7/h5H,3H2,1-2H3
InChI Key:
BESQLCCRQYTQQI-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CC#N)C
EC Number:
236-421-3
UNII:
0V3MGI9XMA
NSC Number:
1071
Properties
Complexity:
142  
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:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties