AG00BF8F

272437-84-0 | 3,4-Dihydro-3-oxo-2H-benzo[b][1,4]thiazine-6-carboxylic acid

AG00BF8F

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CAS Number	272437-84-0
Catalog Number	AG00BF8F(AGN-PC-0JW167)
Chemical Name	3,4-Dihydro-3-oxo-2H-benzo[b][1,4]thiazine-6-carboxylic acid
IUPAC Name	3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
InChI	InChI=1S/C9H7NO3S/c11-8-4-14-7-2-1-5(9(12)13)3-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key	NBIVLYUEDPRLGI-UHFFFAOYSA-N
MDL Number	MFCD00456558
Molecular Formula	C9H7NO3S
Molecular Weight	209.2218
SMILES	O=C1NC2=C(SC1)C=CC(=C2)C(=O)O
Synonyms	272437-84-0, 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid, 3,4-Dihydro-3-oxo-2H-benzo[b][1,4]thiazine-6-carboxylic acid, 3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid, 3-Oxo-3,4-dihydro-2H-benzo[1,4]thiazine-6-carboxylic acid, 3-oxo-2H,4H-benzo[e]1,4-thiazaperhydroine-6-carboxylic acid, BAS 13090967, AC1LFW2I, 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid, AC1Q73IA, Oprea1_286767, CBDivE_002679, MLS000716814, SCHEMBL619633, CHEMBL1391155, CTK1A0622, DTXSID00353987, NBIVLYUEDPRLGI-UHFFFAOYSA-N, 2H-1,4-Benzothiazine-6-carboxylic acid, 3,4-dihydro-3-oxo-, HMS2637I07, HMS3363J15, ZINC229641, oxodihydrobenzothiazinecarboxylicacid, ACT07865, ALBB-024268, KS-000024AI, ANW-51383, MFCD00456558, SBB007498, AKOS000118720, DA-0924, MCULE-4547727090, RP12180, RTR-012257, AJ-18118, BR-24186, SMR000278331, ST059011, AB0023879, DB-067749, ST2410830, TR-012257, 4CH-015406, AM20061055, FT-0647834, W5031, EN300-08179, S-4101, 6-Carboxy-2H-(1,4)-benzothiazine-3-(4H)-one, AE-848/31997021, SR-01000388744, 6-Carboxy-3,4-dihydro-3-oxo-2H-1,4-benzothiazine, A1-01410, J-513009, SR-01000388744-1, 3-oxo-2H,4H-benzo[e]1,4-thiazine-6-carboxylic acid, I01-15980, Z56935282, 3-oxo-2,4-dihydro-1,4-benzothiazine-6-carboxylic acid, F0900-1068, 3,4-Dihydro-3-oxo-2H-1,4-benzothiazine-6-carboxylic acid, 3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-carboxylic acid, 2H-1,4-Benzothiazine-6-carboxylicacid, 3,4-dihydro-3-oxo-, 3,4-Di hydro-3-oxo-2h-benzo[1,4]thiazin-6-carboxylic acid, 3,4-Dihydro-3-oxo-2H-benzo[b][1,4]thiazine-6-carboxylicacid, 3-Oxo-3,4-dihydro-2H-benzo [1,4]thiazine-6-carboxylic Acid, 3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid, AldrichCPR, C9H7NO3S, CID760993,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.219g/mol
Monoisotopic Mass	209.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	91.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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