AG003M47

933759-69-4 | 5-(Thiazol-2-yl)isoxazole-3-carboxylic acid

AG003M47

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CAS Number	933759-69-4
Catalog Number	AG003M47(AGN-PC-0WAAQ0)
Chemical Name	5-(Thiazol-2-yl)isoxazole-3-carboxylic acid
IUPAC Name	5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C7H4N2O3S/c10-7(11)4-3-5(12-9-4)6-8-1-2-13-6/h1-3H,(H,10,11)
InChI Key	GJYQCDMPWRJWNG-UHFFFAOYSA-N
MDL Number	MFCD22192337
Molecular Formula	C7H4N2O3S
Molecular Weight	196.1833
SMILES	O=C(C1=NOC(C2=NC=CS2)=C1)O
Synonyms	933759-69-4, 5-(2-Thiazolyl)isoxazole-3-carboxylic Acid, 5-(Thiazol-2-yl)isoxazole-3-carboxylic acid, 5-(1,3-Thiazol-2-yl)-1,2-oxazole-3-carboxylic acid, KS-00000CPZ, 6246AJ, MFCD22192337, ZINC87546390, AKOS019025686, TRA0100096, AK-83945, DS-17347, SY015183, 5-(2-Thiazolyl)isoxazole-3-carboxylicAcid, AJ-128069, TC-307763, Z-4296, MFCD22192337 (97+%), C7H4N2O3S, 5-(2-thiazolyl)-3-Isoxazolecarboxylic acid, 21896-59-3,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.994g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.18g/mol
Monoisotopic Mass	195.994g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number