AG001FLE

148312-55-4 | 3-Thiazolidinecarboxylic acid, 1,1-dimethylethyl ester

AG001FLE

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CAS Number	148312-55-4
Catalog Number	AG001FLE(AGN-PC-009AAP)
Chemical Name	3-Thiazolidinecarboxylic acid, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 1,3-thiazolidine-3-carboxylate
InChI	InChI=1S/C8H15NO2S/c1-8(2,3)11-7(10)9-4-5-12-6-9/h4-6H2,1-3H3
InChI Key	XMOPVCIMGZUNNI-UHFFFAOYSA-N
MDL Number	MFCD22581582
Molecular Formula	C8H15NO2S
Molecular Weight	189.2752
SMILES	CC(C)(C)OC(=O)N1CCSC1
Synonyms	tert-Butyl thiazolidine-3-carboxylate, 148312-55-4, Tert-butyl 1,3-thiazolidine-3-carboxylate, AK-98147, 3-?Thiazolidinecarboxyl?ic acid, 1,?1-?dimethylethyl ester, SCHEMBL3316773, N-tert-butoxycarbonyl-thiazolidine, XMOPVCIMGZUNNI-UHFFFAOYSA-N, 3-(tert-Butoxycarbonyl)thiazolidine, KS-00000Q3O, MFCD22581582, ZINC95933283, AKOS022184492, ACN-052872, FCH1619760, DS-18638, AJ-137826, CS-0060967, 3-Thiazolidinecarboxylic acid, 1,1-dimethylethyl ester, CID11446817,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.082g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.273g/mol
Monoisotopic Mass	189.082g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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