AG00I8IF

454248-55-6 | tert-butyl 4,4-Dimethyl-2,2-dioxooxathiazolidine-3-carboxylate

AG00I8IF

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CAS Number	454248-55-6
Catalog Number	AG00I8IF(AGN-PC-0WBRJT)
Chemical Name	tert-butyl 4,4-Dimethyl-2,2-dioxooxathiazolidine-3-carboxylate
IUPAC Name	tert-butyl 4,4-dimethyl-2,2-dioxooxathiazolidine-3-carboxylate
InChI	InChI=1S/C9H17NO5S/c1-8(2,3)15-7(11)10-9(4,5)6-14-16(10,12)13/h6H2,1-5H3
InChI Key	BNXUCYJCRZGFLG-UHFFFAOYSA-N
MDL Number	MFCD22123261
Molecular Formula	C9H17NO5S
Molecular Weight	251.3000
SMILES	C(=O)(OC(C)(C)C)N1C(C)(C)COS1(=O)=O
Synonyms	454248-55-6, 3-boc-4,4-dimethyl-2,2-dioxo-[1,2,3]oxathiazolidine, tert-butyl 4,4-dimethyl-2,2-dioxooxathiazolidine-3-carboxylate, tert-Butyl 4,4-dimethyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide, 4,4-Dimethyl-2,2-dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester, SCHEMBL4928081, MFCD22123261, ZINC38256060, AKOS027250874, SB18569, KS-0000069N, AS-51604, CS-0051507, 3-Boc-4,4-dimethyl-1,2,3-oxathiazolidine 2,2-Dioxide, 3-(tert-Butyloxycarbonyl)-4,4-dimethyl-1,2,3-oxathiazolidine 2,2-dioxide, tert-butyl 4,4-Dimethyl-2,2-dioxooxathiazolidine-3-carboxylate, AldrichCPR, CID11107799, Tert-butyl 4,4-dimethyl-2,2-dioxo-oxathiazolidine-3-carboxylate,

Complexity	387
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.083g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.297g/mol
Monoisotopic Mass	251.083g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	81.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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