AG00I6NJ

33763-20-1 | 5-Thiazolecarboxylic acid, 4-methyl-2-phenyl-

AG00I6NJ

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CAS Number	33763-20-1
Catalog Number	AG00I6NJ(AGN-PC-0JVFQ1)
Chemical Name	5-Thiazolecarboxylic acid, 4-methyl-2-phenyl-
IUPAC Name	4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C11H9NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChI Key	CRSMRBYEBHOYRM-UHFFFAOYSA-N
MDL Number	MFCD00141955
Molecular Formula	C11H9NO2S
Molecular Weight	219.2597
SMILES	CC1=C(SC(=N1)C1=CC=CC=C1)C(O)=O
Synonyms	33763-20-1, 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid, 4-Methyl-2-phenylthiazole-5-carboxylic acid, 5-thiazolecarboxylic acid, 4-methyl-2-phenyl-, 4-methyl-2-phenyl-5-thiazolecarboxylic acid, 4-Methyl-2-phenyl-thiazole-5-carboxylic acid, MFCD00141955, 2-phenyl-4-methylthiazole-5-carboxylic acid, BAS 01861295, AC1LF0FS, AC1Q2GFA, AC1Q5UIJ, Maybridge1_008941, MLS000716165, SCHEMBL1327631, CHEMBL1374129, CTK1C4890, HMS566O09, KS-00001SNP, DTXSID70352189, CRSMRBYEBHOYRM-UHFFFAOYSA-N, HMS2644L21, ZINC122847, ALBB-020574, ANW-74836, BBL028271, CM-979, HTS000447, SBB040945, STK862381, AKOS000268957, MCULE-1387961541, RP12690, 12F-322S, AJ-11819, AK-23784, SMR000277682, AB0001543, DB-012209, TR-014087, BB 0238163, EU-0006662, FT-0680059, ST45247927, Z2892, 5-Thiazolecarboxylicacid, 4-methyl-2-phenyl-, EN300-13644, C-4064, 763M201, SR-01000449571, 4-methyl-2-(phenyl)-1,3-thiazol-5-carboxylic acid, I14-8777, J-515725, SR-01000449571-1, BRD-K20401364-001-07-6, Z90666966, F0804-1563, 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid, AldrichCPR, C11H9NO2S, AR-1G9573, CID720957, 4-Methyl-2-phenyl-1,3-thiazole-5-carboxylic acid, 97% - 1G 1g, 33979-43-0,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.035g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.258g/mol
Monoisotopic Mass	219.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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