3-(1,1,3-TRIOXO-1,3-DIHYDRO-1LAMBDA6-BENZO[D]ISOTHIAZOL-2-YL)-PROPIONICACID
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![3-(1,1,3-TRIOXO-1,3-DIHYDRO-1LAMBDA6-BENZO[D]ISOTHIAZOL-2-YL)-PROPIONICACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/621650c088a646bc99406788926cb2b2.png "3-(1,1,3-TRIOXO-1,3-DIHYDRO-1LAMBDA6-BENZO[D]ISOTHIAZOL-2-YL)-PROPIONICACID")
3-(1,1,3-TRIOXO-1,3-DIHYDRO-1LAMBDA6-BENZO[D]ISOTHIAZOL-2-YL)-PROPIONICACID
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CAS No:
83747-21-1
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Formula:
C10H9NO5S
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Chemical Name:
3-(1,1,3-TRIOXO-1,3-DIHYDRO-1LAMBDA6-BENZO[D]ISOTHIAZOL-2-YL)-PROPIONICACID
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Synonyms:
3-(1,1,3-TRIOXO-1,3-DIHYDRO-1-BENZO[ D ]ISOTHIAZOL-2-YL)-PROPIONIC ACID;3-(1,1,3-TRIOXO-1,3-DIHYDRO-1LAMBDA6-BENZO[D]ISOTHIAZOL-2-YL)-PROPIONIC ACID;3-(1,1,3-TRIOXO-1,3-DIHYDROBENZO[D]ISOTHIAZOL-2-YL)-PROPIONIC ACID;1,2-benzisothiazole-2(3H)-propanoic acid, 3-oxo-, 1,1-diox;3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanoic acid(SALTDATA: FREE);3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanoic acid;TIMTEC-BB SBB011991;1,2-Benzisothiazole-2(3H)-propanoic acid, 3-oxo-, 1,1-dioxide
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CAS No:
3-(1,1,3-TRIOXO-1,3-DIHYDRO-1LAMBDA6-BENZO[D]ISOTHIAZOL-2-YL)-PROPIONICACID Basic Attributes
255.25
255.02014356 g/mol
DTXSID00366294
2934999090
Characteristics
100.13000
1.32450
1.581±0.06 g/cm3
164-165 °C(Solv: methanol (67-56-1); ethyl ether (60-29-7))
518.2±52.0 °C(Predicted)
267.2ºC
4.30±0.10
Computed Properties
Molecular Weight:255.25
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:255.02014356
Monoisotopic Mass:255.02014356
Topological Polar Surface Area:100
Heavy Atom Count:17
Complexity:438
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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