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1261025-23-3 | 1-Piperidinecarboxylic acid, 3-(1-hydroxy-2-methoxy-2-oxoethylidene)-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1261025-23-3 Catalog No: AG000RMC MDL No:
Product Description
Catalog Number:
AG000RMC
Chemical Name:
1-Piperidinecarboxylic acid, 3-(1-hydroxy-2-methoxy-2-oxoethylidene)-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1261025-23-3
Molecular Formula:
C13H19NO6
Molecular Weight:
285.2931
IUPAC Name:
tert-butyl (3E)-3-(1-hydroxy-2-methoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C13H19NO6/c1-13(2,3)20-12(18)14-6-5-9(15)8(7-14)10(16)11(17)19-4/h16H,5-7H2,1-4H3/b10-8+
InChI Key:
RDAVNXSARZPFNC-CSKARUKUSA-N
SMILES:
COC(=O)C(=C1CN(CCC1=O)C(=O)OC(C)(C)C)O
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
285.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.296g/mol
Monoisotopic Mass:
285.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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