AG00AAGK

1303974-96-0 | Methyl 1-Boc-5-oxo-piperidine-3-carboxylate

AG00AAGK

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CAS Number	1303974-96-0
Catalog Number	AG00AAGK(AGN-PC-0WBRL7)
Chemical Name	Methyl 1-Boc-5-oxo-piperidine-3-carboxylate
IUPAC Name	1-O-tert-butyl 3-O-methyl 5-oxopiperidine-1,3-dicarboxylate
InChI	InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-8(10(15)17-4)5-9(14)7-13/h8H,5-7H2,1-4H3
InChI Key	JLMQIJJJKPJVCE-UHFFFAOYSA-N
MDL Number	MFCD18909956
Molecular Formula	C12H19NO5
Molecular Weight	257.2830
SMILES	O=C(N1CC(C(OC)=O)CC(C1)=O)OC(C)(C)C
Synonyms	1303974-96-0, 1-tert-Butyl 3-methyl 5-oxopiperidine-1,3-dicarboxylate, Methyl 1-Boc-5-oxo-piperidine-3-carboxylate, Methyl 1-Boc-5-oxopiperidine-3-carboxylate, SCHEMBL12524866, JLMQIJJJKPJVCE-UHFFFAOYSA-N, KS-000004BZ, MFCD18909956, AKOS023401655, CS-W001724, SB11299, AK165364, AS-33946, SY045092, FT-0735510, MFCD18909956 (95%), Methyl 1-Boc-5-oxo-piperidine-3-carboxylate, AldrichCPR, 1-(tert-butyl) 3-methyl 5-oxopiperidine-1,3-dicarboxylate, O1-tert-Butyl O3-methyl 5-oxopiperidine-1,3-dicarboxylate, 1-O-tert-butyl 3-O-methyl 5-oxopiperidine-1,3-dicarboxylate, 1-(tert-butoxycarbonyl)-3-methyl-5-oxopiperidine-3-carboxylic acid,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.126g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.286g/mol
Monoisotopic Mass	257.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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