AG003BSX

6270-74-2 | 2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetic acid

AG003BSX

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CAS Number	6270-74-2
Catalog Number	AG003BSX(AGN-PC-0JOBRG)
Chemical Name	2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetic acid
IUPAC Name	2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid
InChI	InChI=1S/C10H9NO3S/c12-9(13)5-8-10(14)11-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H,11,14)(H,12,13)
InChI Key	QWXLTZQRYJBZQT-UHFFFAOYSA-N
MDL Number	MFCD00087524
Molecular Formula	C10H9NO3S
Molecular Weight	223.2484
NSC Number	35807
SMILES	OC(CC1C(=O)NC2=C(C=CC=C2)S1)=O
Synonyms	6270-74-2, (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetic acid, 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetic acid, (3-Oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl)-acetic acid, 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid, NSC35807, 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetic acid, CHEMBL37400, 2H-1,4-Benzothiazine-2-acetic acid, 3,4-dihydro-3-oxo-, 3,4-Dihydro-3-oxo-2H-(1,4)-benzothiazin-2-ylacetic acid, ACMC-1B8DY, AC1L5TA9, AC1Q6GT4, Cambridge id 5218945, 2-carboxymethyl-2h-1,4-benzothiazin-3(4h)-one, Oprea1_321982, Oprea1_597655, CBDivE_007767, MLS000104250, AC1Q754B, IFLab1_000585, SCHEMBL4328755, CTK2F6101, DTXSID60284122, HMS1413K13, HMS2300O20, ALBB-017001, BBL028184, BDBM50141393, MFCD00087524, NSC-35807, SBB000620, STK396783, STK938707, AKOS000271820, AKOS005669775, AKOS016041492, CCG-246150, MCULE-2004277248, SDCCGMLS-0025694.P002, SDCCGMLS-0025694.P003, IDI1_008804, KS-000018Y8, BAS 01259325, SMR000054185, TR-041069, FT-0713425, EN300-08260, A-8082, AB00075649-01, (3-hydroxy-2H-1,4-benzothiazin-2-yl)acetic acid, 4W-0274, AG-227/30750006, SR-01000388366, SR-01000388366-1, I01-16680, Z56968775, (3-oxo-2,4-dihydro-1,4-benzothiazin-2-yl)acetic acid, 2-(3-oxo-2H,4H-benzo[e]1,4-thiazin-2-yl)acetic acid, 3,4-dihydro-3-oxo-2h-1,4-benzothiazine-2-acetic acid, 3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-2-acetic acid, F0125-1781, 2H-1,4-Benzothiazine-2-aceticacid, 3,4-dihydro-3-oxo-, 3,4-Dihydro-3-oxo-2H-(1,4)benzothiazin-2-ylacetic acid, AR-1D9921, CID234937, 67801-58-5,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	223.246g/mol
Monoisotopic Mass	223.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	91.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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