Basic information
- CAS
106483-66-3- Standard SMILES
O=C1c2ccc([N+](=O)[O-])cc2C(=O)C1(O)O- InChIKey
CKNXPOACSQXSGF-UHFFFAOYSA-N- Molecular formula
- C9H5NO6
- Average molar mass
- 223.14 g/mol
- Monoisotopic mass
- 223.01168688
Names & identifiers
- Preferred name
- 2,2-Dihydroxy-5-nitroindene-1,3-dione
- IUPAC
- 2,2-dihydroxy-5-nitroindene-1,3-dione
Names & synonyms
2,2-Dihydroxy-5-nitroindene-1,3-dione106483-66-3CHEMBL47549292,2-dihydroxy-5-nitro-1h-indene-1,3(2h)-dioneSCHEMBL8666113DTXSID90147610BDBM50562200
Database identifiers
- CAS
106483-66-3- PubChem CID
- 184656
- DTXSID
DTXSID90147610- ChEMBL
CHEMBL4754929
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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