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1159983-63-7 | 4-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α,3-dioxo-, methyl ester
CAS No: 1159983-63-7 Catalog No: AG000HF2 MDL No:MFCD11111571
Product Description
Catalog Number:
AG000HF2
Chemical Name:
4-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-α,3-dioxo-, methyl ester
CAS Number:
1159983-63-7
Molecular Formula:
C13H19NO6
Molecular Weight:
285.2931
MDL Number:
MFCD11111571
IUPAC Name:
tert-butyl 4-(2-methoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C13H19NO6/c1-13(2,3)20-12(18)14-6-5-8(9(15)7-14)10(16)11(17)19-4/h8H,5-7H2,1-4H3
InChI Key:
JOZPQWCUQZLFBU-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C1CCN(CC1=O)C(=O)OC(C)(C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.296g/mol
Monoisotopic Mass:
285.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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