8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol, 4,5,5a,6,7,8-hexahydro-6-hydroxy-, 3-oxide (9CI)
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![8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol, 4,5,5a,6,7,8-hexahydro-6-hydroxy-, 3-oxide (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/774458cc134e4119b8677e261983ceb8.png "8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol, 4,5,5a,6,7,8-hexahydro-6-hydroxy-, 3-oxide (9CI)")
8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol, 4,5,5a,6,7,8-hexahydro-6-hydroxy-, 3-oxide (9CI)
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CAS No:
331853-25-9
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Formula:
C8H11N3O4
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Chemical Name:
8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol, 4,5,5a,6,7,8-hexahydro-6-hydroxy-, 3-oxide (9CI)
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Synonyms:
5,5a,7,8-Tetrahydro-4H-[1,2,5]oxadiazolo[3,4-E]indole-6,8a-diol 3-oxide;Cambridge id 5256326;CBDivE_016180;MLS000061385;CHEMBL1313158;CTK8I2394;NHRUBYOIJKSANM-UHFFFAOYSA-;HMS2459B16;STK023769;AKOS000558616
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CAS No:
8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol, 4,5,5a,6,7,8-hexahydro-6-hydroxy-, 3-oxide (9CI) Basic Attributes
213.19064
213.075
Computed Properties
Molecular Weight:213.19
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Exact Mass:213.07495584
Monoisotopic Mass:213.07495584
Topological Polar Surface Area:95.2
Heavy Atom Count:15
Complexity:279
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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8aH-Pyrrolo[3,2-e]-2,1,3-benzoxadiazol-8a-ol, 4,5,5a,6,7,8-hexahydro-6-hydroxy-7-methyl- (9CI)
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8aH-Pyrrolo[2,3-g]-1,2,3-benzoxadiazol-8a-ol, 4,5,5a,6,7,8-hexahydro-6-hydroxy-, 2-oxide (9CI)
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8aH-Pyrrolo[3,2-e][1,2,3]benzoxadiazol-8a-ol, 4,5,5a,6,7,8-hexahydro-6-hydroxy-, 2-oxide (9CI) Formula
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