3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one
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![3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1f3e7e94a0da4812983a64ada1093489.png "3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one")
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one
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CAS No:
4338-00-5
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Formula:
C11H11N2O4+
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Chemical Name:
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one
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Synonyms:
4338-00-5;NSC83674;NCIOpen2_004638;DTXSID60329042;ZINC6567381;NSC-83674;3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
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CAS No:
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one Basic Attributes
235.22 g/mol
235.07188184 g/mol
83674
DTXSID60329042
Computed Properties
Molecular Weight:235.22
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:235.07188184
Monoisotopic Mass:235.07188184
Topological Polar Surface Area:59.8
Heavy Atom Count:17
Formal Charge:1
Complexity:344
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one
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