2-(3-oxobenzo[d]isothiazol-2(3H)-yl)aceticacid
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![2-(3-oxobenzo[d]isothiazol-2(3H)-yl)aceticacid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c6bce0a78d8a44a0a607b0baa465dd1e.png "2-(3-oxobenzo[d]isothiazol-2(3H)-yl)aceticacid")
2-(3-oxobenzo[d]isothiazol-2(3H)-yl)aceticacid
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CAS No:
82152-06-5
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Formula:
C9H7NO3S
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Chemical Name:
2-(3-oxobenzo[d]isothiazol-2(3H)-yl)aceticacid
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Synonyms:
2-(3-oxobenzo[d]isothiazol-2(3H)-yl)acetic acid;2-(3-keto-1,2-benzothiazol-2-yl)acetic acid;2-(3-oxo-1,2-benzothiazol-2-yl)acetic acid;2-(3-oxo-1,2-benzothiazol-2-yl)ethanoic acid;2-(3-Oxo-3h-benzo[d]isothiazol-2-yl)-acetic acid;2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetic acid;1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-
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CAS No:
Characteristics
87.54000
1.14760
1.518±0.06 g/cm3
240-242 °C(Solv: water (7732-18-5))
444.9±47.0 °C(Predicted)
3.61±0.10
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:209.22
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:209.01466426
Monoisotopic Mass:209.01466426
Topological Polar Surface Area:82.9
Heavy Atom Count:14
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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