Home Other Building Blocks tert-Butyl cyanoacetate

tert-Butyl cyanoacetate

CAS No.:
1116-98-9
Catalog Number:
AG0035N4
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$100
- +
500g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG0035N4
Chemical Name:
tert-Butyl cyanoacetate
CAS Number:
1116-98-9
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD00001938
IUPAC Name:
tert-butyl 2-cyanoacetate
InChI:
InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
InChI Key:
BFNYNEMRWHFIMR-UHFFFAOYSA-N
SMILES:
N#CCC(=O)OC(C)(C)C
EC Number:
214-243-7
UNII:
PWT31M9VDL
NSC Number:
1072
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis of jenamidines A1/A2. Organic letters 20050929
Properties