AG00DCLK

54001-16-0 | 2-(4-METHOXYPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID

AG00DCLK

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CAS Number	54001-16-0
Catalog Number	AG00DCLK(AGN-PC-0LK9FQ)
Chemical Name	2-(4-METHOXYPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
IUPAC Name	2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C12H11NO3S/c1-7-10(12(14)15)17-11(13-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,14,15)
InChI Key	HWHHZTHVYFDJNK-UHFFFAOYSA-N
MDL Number	MFCD06857928
Molecular Formula	C12H11NO3S
Molecular Weight	249.2856
SMILES	COc1ccc(cc1)c1nc(c(s1)C(=O)O)C
Synonyms	2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic Acid, 54001-16-0, 2-(4-Methoxyphenyl)-4-methylthiazole-5-carboxylic acid, MFCD06857928, AC1NLR8B, AC1Q4AAK, SCHEMBL3419091, CTK4J9269, DTXSID60407177, HWHHZTHVYFDJNK-UHFFFAOYSA-N, ALBB-028595, ZINC4207356, BBL030709, SBB016498, STL163863, AKOS000273560, MCULE-3933135553, ST50328445, EN300-14125, K-9759, Z96093363, 2-(4-methoxyphenyl)-4-methyl-5-thiazolecarboxylic acid, 4-Methyl-2-(4-methoxyphenyl)thiazole-5-carboxylic acid, F3284-7865, 5-Thiazolecarboxylic acid, 2-(4-methoxyphenyl)-4-methyl-, 2-(4-methoxy phenyl)-4-methyl-1,3-thiazol-5-carboxylic acid, 2-(4-Methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid, AldrichCPR, CID4962843,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.046g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.284g/mol
Monoisotopic Mass	249.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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