Basic information
- Standard SMILES
Cc1ccc2c(=O)occc2c1[N+](=O)[O-]- InChIKey
MQTSSHSNQCUTBQ-UHFFFAOYSA-N- Molecular formula
- C10H7NO4
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.0375077
Names & identifiers
- Preferred name
- 6-Methyl-5-nitro-1H-isochromen-1-one
- IUPAC
- 6-methyl-5-nitroisochromen-1-one
Names & synonyms
SCHEMBL306896MQTSSHSNQCUTBQ-UHFFFAOYSA-N6-Methyl-5-nitro-1H-isochromen-1-one
Database identifiers
- PubChem CID
- 59515784
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Related reactions
6 records
Compound notes
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