AG00DLL4

459817-82-4 | tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide

AG00DLL4

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CAS Number	459817-82-4
Catalog Number	AG00DLL4(AGN-PC-0RU8KS)
Chemical Name	tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide
IUPAC Name	tert-butyl 2,2-dioxooxathiazolidine-3-carboxylate
InChI	InChI=1S/C7H13NO5S/c1-7(2,3)13-6(9)8-4-5-12-14(8,10)11/h4-5H2,1-3H3
InChI Key	ALJRPIAYJALVFG-UHFFFAOYSA-N
MDL Number	MFCD20527196
Molecular Formula	C7H13NO5S
Molecular Weight	223.2468
SMILES	O1S(N(CC1)C(=O)OC(C)(C)C)(=O)=O
Synonyms	459817-82-4, tert-butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide, 1,2,3-Oxathiazolidine-3-carboxylic acid, 1,1-dimethylethyl ester, 2,2-dioxide, 2,2-dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester, 3-Boc-1,2,3-oxathiazolidine 2,2-dioxide, tert-butyl 2,2-dioxooxathiazolidine-3-carboxylate, SCHEMBL829003, DTXSID30635066, ALJRPIAYJALVFG-UHFFFAOYSA-N, 3965AE, MFCD20527196, ZINC71773604, AKOS025291328, AM81006, MCULE-4991398184, NE16651, SB21083, AS-51493, 3-Boc-1,2,3-oxathiazolidine 2,2-dioxide, 95%, Z1863617776, 3-(tert-Butoxycarbonyl)-1,2,3-oxathiazolidine 2,2-dioxide, tert-butyl 2,2-dioxo-1,2??,3-oxathiazolidine-3-carboxylate, tert-butyl 2,2-dioxo-1,2lambda,3-oxathiazolidine-3-carboxylate, tert-Butyl 2,2-dioxo-1,2lambda~6~,3-oxathiazolidine-3-carboxylate, tert-butyl 2,2-dioxo-1,2lambda6,3-oxathiazolidine-3-carboxylate, 2,2-dioxo-2lambda6-[1,2,3 ]oxathiazolidine-3-carboxylic acid tert-butyl ester, 2,2-dioxo-2lambda6-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester, C7H13NO5S, 2,2-Dioxido-1,2,3-oxathiazolidine, N-BOC protected, tert-butyl 2,2-dioxo-1,2,3-oxathiazolidine-3-carboxylate,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.051g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.243g/mol
Monoisotopic Mass	223.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	81.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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