Basic information
- CAS
99358-18-6- Standard SMILES
CC(=O)Oc1ccc(OC(C)=O)nc1- InChIKey
UCGPPSFYHAXVTI-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- (6-Acetyloxy-3-pyridinyl) acetate
- IUPAC
- (6-acetyloxy-3-pyridinyl) acetate
- English name
- 2,5-Pyridinediol,diacetate(6CI)
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
2,5-diacetoxy-pyridine2,5-Pyridinediol, 2,5-diacetate2,5-Pyridinediol,diacetate(6CI)
Database identifiers
- CAS
99358-18-6- PubChem CID
- 121227546
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 306.8 · 306.8±27.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- -1.86 · -1.86±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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