AG001CUC

1408076-36-7 | 1-Azetidinecarboxylic acid, 2-methyl-3-oxo-, 1,1-dimethylethyl ester

AG001CUC

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CAS Number	1408076-36-7
Catalog Number	AG001CUC(AGN-PC-0WCKF2)
Chemical Name	1-Azetidinecarboxylic acid, 2-methyl-3-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-methyl-3-oxoazetidine-1-carboxylate
InChI	InChI=1S/C9H15NO3/c1-6-7(11)5-10(6)8(12)13-9(2,3)4/h6H,5H2,1-4H3
InChI Key	OPQMXTJLDQEDTI-UHFFFAOYSA-N
MDL Number	MFCD23106081
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
SMILES	O=C(N1C(C)C(C1)=O)OC(C)(C)C
Synonyms	tert-butyl 2-methyl-3-oxoazetidine-1-carboxylate, 1408076-36-7, 1-Boc-2-methyl-3-azetidone, tert-butyl (2S)-2-methyl-3-oxoazetidine-1-carboxylate, 171919-76-9, SCHEMBL15797129, OPQMXTJLDQEDTI-UHFFFAOYSA-N, MFCD23106081, AKOS025290353, FCH1681402, PB38079, SB20832, KS-000007L9, AK172576, AS-34735, DA-45243, CS-0048412, FT-0752617, Q-3338, 2-methyl-3-oxo-azetidine-1-carboxylic acid tert-butyl ester, 1-Azetidinecarboxylic acid, 2-methyl-3-oxo-, 1,1-dimethylethyl ester, tert-butyl (2R)-2-methyl-3-oxoazetidine-1-carboxylate, 1638744-93-0,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.223g/mol
Monoisotopic Mass	185.105g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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