AG009C8K

1261080-59-4 | Methyl 2-​acetyl-​5-​thiazolecarboxylate

AG009C8K

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CAS Number	1261080-59-4
Catalog Number	AG009C8K(AGN-PC-0WQVJY)
Chemical Name	Methyl 2-​acetyl-​5-​thiazolecarboxylate
IUPAC Name	methyl 2-acetyl-1,3-thiazole-5-carboxylate
InChI	InChI=1S/C7H7NO3S/c1-4(9)6-8-3-5(12-6)7(10)11-2/h3H,1-2H3
InChI Key	GZQHBNUKAZKLMJ-UHFFFAOYSA-N
MDL Number	MFCD22665896
Molecular Formula	C7H7NO3S
Molecular Weight	185.2004
SMILES	O=C(C1=CN=C(C(C)=O)S1)OC
Synonyms	methyl 2-acetylthiazole-5-carboxylate, 1261080-59-4, 5-Thiazolecarboxylic acid, 2-acetyl-, methyl ester, CS-M1605, MFCD22665896, AKOS027337897, ZINC214481302, CS-14417, methyl 2-acetyl-1,3-thiazole-5-carboxylate, 2-Acetyl-5-thiazolecarboxylic acid methyl ester, 5-Thiazolecarboxylic acid,2-acetyl-,Methyl ester, Z2293604700,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.197g/mol
Monoisotopic Mass	185.015g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	84.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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