Home Carboxys tert-Butyl 3-cyano-4-oxopyrrolidine-1-carboxylate

tert-Butyl 3-cyano-4-oxopyrrolidine-1-carboxylate

CAS No.:
175463-32-8
Catalog Number:
AG0032OQ
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$15
- +
25g
97%
In Stock USA
United States
$55
- +
100g
97%
In Stock USA
United States
$163
- +
500g
97%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG0032OQ
Chemical Name:
tert-Butyl 3-cyano-4-oxopyrrolidine-1-carboxylate
CAS Number:
175463-32-8
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
MDL Number:
MFCD01318456
IUPAC Name:
tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7H,5-6H2,1-3H3
InChI Key:
RKUQLKRPWWYRIG-UHFFFAOYSA-N
SMILES:
N#CC1CN(CC1=O)C(=O)OC(C)(C)C
EC Number:
700-004-9
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
tert-Butyl 3-amino-2-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20100501
Properties