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157327-43-0 | 1-Piperidinecarboxylic acid, 3-acetyl-4-oxo-, 1,1-dimethylethyl ester
CAS No: 157327-43-0 Catalog No: AG001PDM MDL No:MFCD11111801
Product Description
Catalog Number:
AG001PDM
Chemical Name:
1-Piperidinecarboxylic acid, 3-acetyl-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
157327-43-0
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD11111801
IUPAC Name:
tert-butyl 3-acetyl-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C12H19NO4/c1-8(14)9-7-13(6-5-10(9)15)11(16)17-12(2,3)4/h9H,5-7H2,1-4H3
InChI Key:
FTGIVLQZVUPSAJ-UHFFFAOYSA-N
SMILES:
CC(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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