Basic information
- Standard SMILES
O=C1OC(O)c2ccc([N+](=O)[O-])cc21- InChIKey
WUQPXBMPKNIUCE-UHFFFAOYSA-N- Molecular formula
- C8H5NO5
- Average molar mass
- 195.13 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one
- IUPAC
- 3-hydroxy-6-nitro-3H-2-benzofuran-1-one
Names & synonyms
3-hydroxy-6-nitroisobenzofuran-1(3h)-one77619-93-33-Hydroxy-6-nitro-2-benzofuran-1(3h)-oneSCHEMBL2532509WUQPXBMPKNIUCE-UHFFFAOYSA-N3-Hydroxy-6-nitro-1(3H)-isobenzofuranone
Database identifiers
- PubChem CID
- 522671
- Nikkaji
- J659.538C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 273
Related reactions
5 records
Linked notes
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