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

Benzyl 3-cyano-4-oxopiperidine-1-carboxylate

CAS No.:
916423-53-5
Catalog Number:
AG006F73
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$138
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Product Description
Catalog Number:
AG006F73
Chemical Name:
Benzyl 3-cyano-4-oxopiperidine-1-carboxylate
CAS Number:
916423-53-5
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
MDL Number:
MFCD09258795
IUPAC Name:
benzyl 3-cyano-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C14H14N2O3/c15-8-12-9-16(7-6-13(12)17)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChI Key:
DRZBPQWPPJBSBG-UHFFFAOYSA-N
SMILES:
N#CC1CN(CCC1=O)C(=O)OCc1ccccc1
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties