5-Amino-2-(2H-1,3-benzodioxol-5-yl)-4-hydroxyfuran-3(2H)-one
Basic information
- CAS
53055-21-3- Standard SMILES
NC1=C(O)C(=O)C(c2ccc3c(c2)OCO3)O1- InChIKey
DNOSCHJKLSNKQQ-UHFFFAOYSA-N- Molecular formula
- C11H9NO5
- Average molar mass
- 235.19 g/mol
- Monoisotopic mass
- 235.04807239
Names & identifiers
- Preferred name
- 5-Amino-2-(2H-1,3-benzodioxol-5-yl)-4-hydroxyfuran-3(2H)-one
- IUPAC
- 5-amino-2-(1,3-benzodioxol-5-yl)-4-hydroxyfuran-3-one
Names & synonyms
53055-21-3NSC372068DTXSID703311315-Amino-2-(2H-1,3-benzodioxol-5-yl)-4-hydroxyfuran-3(2H)-oneNSC-372068
Database identifiers
- CAS
53055-21-3- PubChem CID
- 435548
- DTXSID
DTXSID70331131
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
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Compound notes
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