AG000JMU

1228631-19-3 | Benzyl 3,5-dioxopiperidine-1-carboxylate

AG000JMU

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CAS Number	1228631-19-3
Catalog Number	AG000JMU(AGN-PC-0WBR3I)
Chemical Name	Benzyl 3,5-dioxopiperidine-1-carboxylate
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
MDL Number	MFCD16618536
Molecular Formula	C13H13NO4
Molecular Weight	247.2466
SMILES	O=C(N1CC(CC(C1)=O)=O)OCC2=CC=CC=C2
Synonyms	BENZYL 3,5-DIOXOPIPERIDINE-1-CARBOXYLATE, 1228631-19-3, SCHEMBL15067221, LWXKJIHFJCWJGM-UHFFFAOYSA-N, KS-000004CJ, MFCD16618536, ZINC79036014, AKOS025290936, FCH2770804, SB11341, AK170931, AS-33952, ST1040259, CS-0049849, 1-Piperidinecarboxylic acid, 3,5-dioxo-, phenylmethyl ester,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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