Basic information
- CAS
889879-72-5- Standard SMILES
COc1ccc2oc3c(ccc(C)[n+]3[O-])c(=O)c2c1- InChIKey
PZFAXJMIXQEEEP-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 5H-[1]Benzopyrano[2,3-b]pyridin-5-one, 7-methoxy-2-methyl-, 1-oxide
- IUPAC
- 7-methoxy-2-methyl-1-oxidochromeno[2,3-b]pyridin-1-ium-5-one
Names & synonyms
889879-72-55H-[1]Benzopyrano[2,3-b]pyridin-5-one, 7-methoxy-2-methyl-, 1-oxideDTXSID604697357-Methoxy-2-methyl-1-oxo-5H-1lambda~5~-[1]benzopyrano[2,3-b]pyridin-5-one
Database identifiers
- CAS
889879-72-5- PubChem CID
- 11630264
- DTXSID
DTXSID60469735
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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