1-(2-Hydroxyphenyl)-2-(1-oxo-1lambda~5~-pyridin-2-yl)ethan-1-one
Basic information
- CAS
61395-08-2- Standard SMILES
O=C(Cc1cccc[n+]1[O-])c1ccccc1O- InChIKey
FFVUWOMJQOLAJZ-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 1-(2-Hydroxyphenyl)-2-(1-oxo-1lambda~5~-pyridin-2-yl)ethan-1-one
- IUPAC
- 1-(2-hydroxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)ethanone
Names & synonyms
61395-08-2SCHEMBL11620688DTXSID204909291-(2-Hydroxyphenyl)-2-(1-oxo-1lambda~5~-pyridin-2-yl)ethan-1-one
Database identifiers
- CAS
61395-08-2- PubChem CID
- 12333373
- DTXSID
DTXSID20490929
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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