Basic information
- CAS
141703-21-1- Standard SMILES
CC(=O)Oc1c(C)[nH]cc(C(=O)O)c1=O- InChIKey
VRSXGKBZWCAKKV-UHFFFAOYSA-N- Molecular formula
- C9H9NO5
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.04807239
Names & identifiers
- Preferred name
- 5-(Acetyloxy)-4-hydroxy-6-methyl-3-pyridinecarboxylic acid
- IUPAC
- 5-acetyloxy-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
Names & synonyms
DTXSID4011914005-(Acetyloxy)-4-hydroxy-6-methyl-3-pyridinecarboxylic acid5-(Acetyloxy)-4-hydroxy-6-methylpyridine-3-carboxylic acid141703-21-1
Database identifiers
- CAS
141703-21-1- PubChem CID
- 85642992
- DTXSID
DTXSID401191400
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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