Home Carboxys Benzyl 3-cyano-4-oxopyrrolidine-1-carboxylate

Benzyl 3-cyano-4-oxopyrrolidine-1-carboxylate

CAS No.:
1276125-30-4
Catalog Number:
AG00HRPR
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$213
- +
5g
97%
1 week
United States
$549
- +
10g
97%
1 week
United States
$887
- +
25g
97%
1 week
United States
$1721
- +
Product Description
Catalog Number:
AG00HRPR
Chemical Name:
Benzyl 3-cyano-4-oxopyrrolidine-1-carboxylate
CAS Number:
1276125-30-4
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD11973750
IUPAC Name:
benzyl 3-cyano-4-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H12N2O3/c14-6-11-7-15(8-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,7-9H2
InChI Key:
TUUPQWMVTFXWOW-UHFFFAOYSA-N
SMILES:
N#CC1CN(CC1=O)C(=O)OCc1ccccc1
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties