8-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide structure

8-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide

6-hydroxy-8-methyl-3-oxido-5,5a,7,8-tetrahydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8a-ol

Also Known As: Oprea1_584456|CBDivE_016220|VHHYIVAIZVRWGA-UHFFFAOYSA-|BAS 00637893|AG-690/37046097|8-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide|8-Methyl-3-oxy-5,5a,7,8-tetrahydro-4H-2-oxa-1,3,6-triaza-as-indacene-6,8a-diol|6-hydroxy-8-methyl-3-oxido-5,5a,7,8-tetrahydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8a-ol|6,8a-dihydroxy-8-methyl-5,5a,6,7,8,8a-hexahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide

CAS: 465535-01-7
Molecular Formula C9H13N3O4
Molecular Weight 227.0906 g/mol
LogP -0.8487
Topological Polar Surface Area 96.67 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 0
Exact Mass 227.0906
Monoisotopic Mass 227.0906
Heavy Atoms 16
Complexity 434.38864

Chemical Identifiers

CAS Number 465535-01-7
SMILES CC1CN(C2C1(C3=NO[N+](=C3CC2)[O-])O)O

Product Overview

8-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide (CAS 465535-01-7), with molecular formula C9H13N3O4 and molecular weight 227.0906 g/mol. IUPAC: 6-hydroxy-8-methyl-3-oxido-5,5a,7,8-tetrahydro-4H-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8a-ol.

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8-methyl-5,5a,7,8-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-e]indole-6,8a-diol 3-oxide is a custom synthesis product. We offer services from milligram to kilogram scale.

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