AG002J0H

20737-48-8 | 5-Thiazolecarboxylic acid, 4-hydroxy-2-methyl-, ethyl ester

AG002J0H

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CAS Number	20737-48-8
Catalog Number	AG002J0H(AGN-PC-0O7NEU)
Chemical Name	5-Thiazolecarboxylic acid, 4-hydroxy-2-methyl-, ethyl ester
IUPAC Name	ethyl 4-hydroxy-2-methyl-1,3-thiazole-5-carboxylate
InChI	InChI=1S/C7H9NO3S/c1-3-11-7(10)5-6(9)8-4(2)12-5/h9H,3H2,1-2H3
InChI Key	XYSFQGYOGXKLQW-UHFFFAOYSA-N
MDL Number	MFCD08275722
Molecular Formula	C7H9NO3S
Molecular Weight	187.2163
SMILES	C(=O)(OCC)c1c(O)nc(s1)C
Synonyms	20737-48-8, Ethyl 4-hydroxy-2-methylthiazole-5-carboxylate, 4-Hydroxy-2-methylthiazole-5-carboxylic acid ethyl ester, ethyl 4-hydroxy-2-methyl-1,3-thiazole-5-carboxylate, 5-Thiazolecarboxylic acid, 4-hydroxy-2-methyl-, ethyl ester, AK-22061, SCHEMBL1194336, CTK6F8043, XYSFQGYOGXKLQW-UHFFFAOYSA-N, ALBB-018613, KS-00000K1P, ZX-AN034338, ZX-RL001243, ANW-48931, FCH859155, MFCD08275722, SBB090587, ZINC91366097, AKOS006287453, AS-8442, CS-W019698, QC-6168, AJ-68107, BR-22061, OR110310, SY031821, TZ001126, AB0023322, AX8028004, DB-001727, ST2413004, TR-009734, 4CH-012870, FT-0645994, W4355, MFCD08275722 (95%), S-3016, Ethyl 4-hydroxy-2-methyl-thiazole-5-carboxylate, A814849, 5-[ethoxy(hydroxy)methylidene]-2-methyl-4-thiazolone, 4-Hydroxy-2-methyl-thiazole-5-carboxylic acid ethyl ester, 5-[ethoxy(oxidanyl)methylidene]-2-methyl-1,3-thiazol-4-one, (5E)-5-[ethoxy(hydroxy)methylidene]-2-methyl-1,3-thiazol-4-one, C7H9NO3S, Ethyl4-hydroxy-2-methylthiazole-5-carboxylate, 4-Hydroxy-2-methylthiazole-5-carboxylicacidethylester, 89776-82-9,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.213g/mol
Monoisotopic Mass	187.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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