Basic information
- CAS
59663-08-0- Standard SMILES
Cc1ccc2c(=O)c3ccccc3oc2[n+]1[O-]- InChIKey
ZRXMAKTZMDNCOF-UHFFFAOYSA-N- Molecular formula
- C13H9NO3
- Average molar mass
- 227.21 g/mol
- Monoisotopic mass
- 227.05824315
Names & identifiers
- Preferred name
- 5H-[1]Benzopyrano[2,3-b]pyridin-5-one, 2-methyl-, 1-oxide
- IUPAC
- 2-methyl-1-oxidochromeno[2,3-b]pyridin-1-ium-5-one
Names & synonyms
DTXSID204695995H-[1]Benzopyrano[2,3-b]pyridin-5-one, 2-methyl-, 1-oxide2-Methyl-1-oxo-5H-1lambda~5~-[1]benzopyrano[2,3-b]pyridin-5-one
Database identifiers
- CAS
59663-08-0- PubChem CID
- 11622709
- DTXSID
DTXSID20469599
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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