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914988-10-6 | tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate
CAS No: 914988-10-6 Catalog No: AG0038JJ MDL No:MFCD11109814
Product Description
Catalog Number:
AG0038JJ
Chemical Name:
tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate
CAS Number:
914988-10-6
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD11109814
IUPAC Name:
tert-butyl 3-cyano-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-5-4-9(14)8(6-12)7-13/h8H,4-5,7H2,1-3H3
InChI Key:
VPFTZTMJPFIRAN-UHFFFAOYSA-N
SMILES:
N#CC1CN(CCC1=O)C(=O)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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