4-[2-(1,3-benzodioxol-5-yl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
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![4-[2-(1,3-benzodioxol-5-yl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b658598509ba448a95d867fef3167a9e.png "4-[2-(1,3-benzodioxol-5-yl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid")
4-[2-(1,3-benzodioxol-5-yl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
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CAS No:
354121-15-6
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Formula:
C22H13NO8S
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Chemical Name:
4-[2-(1,3-benzodioxol-5-yl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
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Synonyms:
Oprea1_291018;Oprea1_481594;C22H13NO8S;ZINC2365922;STK223247;AKOS003263534;MCULE-3469504793;EU-0012912;SR-01000501402;SR-01000501402-1;354121-15-6;4-{[2-(1,3-benzodioxol-5-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid
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CAS No:
4-[2-(1,3-benzodioxol-5-yl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Basic Attributes
451.4 g/mol
451.03618755 g/mol
Computed Properties
Molecular Weight:451.4
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:451.03618755
Monoisotopic Mass:451.03618755
Topological Polar Surface Area:136
Heavy Atom Count:32
Complexity:890
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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