AG005R2E

76275-87-1 | Methyl 2-acetylthiazole-4-carboxylate

AG005R2E

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CAS Number	76275-87-1
Catalog Number	AG005R2E(AGN-PC-009IFS)
Chemical Name	Methyl 2-acetylthiazole-4-carboxylate
IUPAC Name	methyl 2-acetyl-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C7H7NO3S/c1-4(9)6-8-5(3-12-6)7(10)11-2/h3H,1-2H3
InChI Key	NKGHYFIJEUOADI-UHFFFAOYSA-N
MDL Number	MFCD22063636
Molecular Formula	C7H7NO3S
Molecular Weight	185.2004
SMILES	O=C(C1=CSC(C(C)=O)=N1)OC
Synonyms	methyl 2-acetylthiazole-4-carboxylate, 76275-87-1, Methyl 2-acetyl-1,3-thiazole-4-carboxylate, SCHEMBL15933940, CTK2G0706, DTXSID10466476, KS-00000LJ5, MFCD22063636, ZINC82392868, AKOS022704065, AK355000, DS-12681, 2-Acetylthiazole-4-carboxylic acid methyl ester, 4-Thiazolecarboxylic acid, 2-acetyl-, methyl ester, CID11458108,

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

Certificate of Analysis

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