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Home Carboxys tert-Butyl 3-(2-oxoethyl);piperidine-1-carboxylate

tert-Butyl 3-(2-oxoethyl);piperidine-1-carboxylate

CAS No.:
372159-76-7
Catalog Number:
AG007A6J
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
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Product Description
Catalog Number:
AG007A6J
Chemical Name:
tert-Butyl 3-(2-oxoethyl);piperidine-1-carboxylate
CAS Number:
372159-76-7
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD03425260
IUPAC Name:
tert-butyl 3-(2-oxoethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-4-5-10(9-13)6-8-14/h8,10H,4-7,9H2,1-3H3
InChI Key:
IOZGGOSCHPGERX-UHFFFAOYSA-N
SMILES:
O=CCC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties