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1228631-19-3 | 1-Piperidinecarboxylic acid, 3,5-dioxo-, phenylmethyl ester
CAS No: 1228631-19-3 Catalog No: AG000JMU MDL No:MFCD16618536
Product Description
Catalog Number:
AG000JMU
Chemical Name:
1-Piperidinecarboxylic acid, 3,5-dioxo-, phenylmethyl ester
CAS Number:
1228631-19-3
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD16618536
IUPAC Name:
benzyl 3,5-dioxopiperidine-1-carboxylate
InChI:
InChI=1S/C13H13NO4/c15-11-6-12(16)8-14(7-11)13(17)18-9-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
LWXKJIHFJCWJGM-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=O)CC(=O)C1)OCc1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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