AG003XRA

Name: 3-Oxo-1,2-benzisothiazole-2(3H)-propanoic acid
Brand: Angene Chemical
SKU: AG003XRA

89139-48-0 | 3-Oxo-1,2-benzisothiazole-2(3H)-propanoic acid

AG003XRA

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COA

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CAS Number	89139-48-0
Catalog Number	AG003XRA(AGN-PC-05J87Z)
Chemical Name	3-Oxo-1,2-benzisothiazole-2(3H)-propanoic acid
IUPAC Name	3-(3-oxo-1,2-benzothiazol-2-yl)propanoic acid
InChI	InChI=1S/C10H9NO3S/c12-9(13)5-6-11-10(14)7-3-1-2-4-8(7)15-11/h1-4H,5-6H2,(H,12,13)
InChI Key	SXQUSVVYDTZILU-UHFFFAOYSA-N
MDL Number	MFCD01560515
Molecular Formula	C10H9NO3S
Molecular Weight	223.2484
SMILES	OC(=O)CCn1sc2c(c1=O)cccc2
Synonyms	89139-48-0, 1,2-Benzisothiazole-2(3H)-propanoic acid, 3-oxo-, CHEMBL3343844, 3-(3-oxobenzo[d]isothiazol-2(3H)-yl)propanoic acid, 3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid, 3-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)propanoic acid, ACMC-20li7q, CTK3A0801, DTXSID00652700, ALBB-030773, BBL029416, BDBM50030338, MFCD01560515, STK946249, ZINC22123948, AKOS002392063, MCULE-2122311779, 3-(3-Oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid, 3-(3-oxo-1,2-benzothiazol-2-yl)propanoic acid,

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	1
Isotope Atom Count	0
Molecular Weight	223.246g/mol
Monoisotopic Mass	223.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	82.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited