AG01DIH0

73181-56-3 | 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-alpha-oxo-4-thiazoleacetic acid

AG01DIH0

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CAS Number	73181-56-3
Catalog Number	AG01DIH0(AGN-PC-0U2FCV)
Chemical Name	2-[[(1,1-Dimethylethoxy)carbonyl]amino]-alpha-oxo-4-thiazoleacetic acid
IUPAC Name	2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoacetic acid
InChI	InChI=1S/C10H12N2O5S/c1-10(2,3)17-9(16)12-8-11-5(4-18-8)6(13)7(14)15/h4H,1-3H3,(H,14,15)(H,11,12,16)
InChI Key	LDTMNHIZDFDFFY-UHFFFAOYSA-N
MDL Number	MFCD18074182
Molecular Formula	C10H12N2O5S
Molecular Weight	272.2777
SMILES	O=C(O)C(C1=CSC(NC(OC(C)(C)C)=O)=N1)=O
Synonyms	73181-56-3, 2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)-2-oxoacetic acid, SCHEMBL8446209, LDTMNHIZDFDFFY-UHFFFAOYSA-N, ZINC34384237, SS-5191, CS-0062259, 2-[2-(Boc-imino)-4-thiazolin-4-yl]glyoxylic Acid, 2-(2-t-butoxycarbonylaminothiazol-4-yl)glyoxylic acid, 2-(2-t-butoxycarbonylaminothiazol-4-yl) glyoxylic acid, 2-(2-tert.-butoxycarbonylimino-4-thiazolin-4-yl)-glyoxylic acid, 2-(2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazol-4-yl)-2-oxoacetic acid, 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-|A-oxo-4-thiazoleacetic acid, 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-alpha-oxo-4-thiazoleacetic acid,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.047g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.275g/mol
Monoisotopic Mass	272.047g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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