AG0002E5

10058-38-5 | 2-phenyl-1,3-thiazole-5-carboxylic acid

AG0002E5

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CAS Number	10058-38-5
Catalog Number	AG0002E5(AGN-PC-0JMQJS)
Chemical Name	2-phenyl-1,3-thiazole-5-carboxylic acid
IUPAC Name	2-phenyl-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key	LCALUFNLWHYTKX-UHFFFAOYSA-N
MDL Number	MFCD07376773
Molecular Formula	C10H7NO2S
Molecular Weight	205.2331
SMILES	O=C(C1=CN=C(C2=CC=CC=C2)S1)O
Synonyms	10058-38-5, 2-Phenylthiazole-5-carboxylic acid, 2-Phenyl-thiazole-5-carboxylic acid, 2-phenyl-1,3-thiazole-5-carboxylic acid, 2-Phenyl-5-carboxythiazole, 5-Thiazolecarboxylic acid, 2-phenyl-, AC1L3E8N, AC1Q73Z5, SCHEMBL1222603, CTK0H7183, DTXSID00143401, LCALUFNLWHYTKX-UHFFFAOYSA-N, 2-Phenyl-5-thiazolecarboxylic acid, ALBB-015214, KS-00000S6Z, ZINC6116819, 2-phenyl-5-thiazole-carboxylic acid, 5-Thiazolecarboxylicacid, 2-phenyl-, 7204AC, MFCD07376773, SBB093494, STL477719, AKOS005175023, AS-5595, CS-W006497, MCULE-9893035507, AJ-55837, AK149590, AB0002885, TR-072154, R9654, ST24041020, EN300-30651, 376P773, A1-00371, Z425389694, C10H7NO2S, CID139087, 33763-20-1,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.02g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.231g/mol
Monoisotopic Mass	205.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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