Basic information
- CAS
62312-44-1- Standard SMILES
CC(=O)Oc1c(C)ncc(C)c1C#N- InChIKey
MNAUBIUENHKMNK-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- 3-Acetoxy-4-cyano-2,5-dimethylpyridine
- IUPAC
- (4-cyano-2,5-dimethyl-3-pyridinyl) acetate
- English name
- 3-Acetoxy-4-cyano-2,5-dimethylpyridine
- Molecular formula
- C10H10N2O2
- Molecular weight
- 190.2
Names & synonyms
3-Acetoxy-4-cyano-2,5-dimethylpyridine62312-44-1DTXSID30336869RefChem:276151DTXCID20287957MNAUBIUENHKMNK-UHFFFAOYSA-NDB-3150584-Cyano-2,5-dimethyl-3-pyridinyl acetate #4-CYANO-2,5-DIMETHYLPYRIDIN-3-YL ACETATE4-Pyridinecarbonitrile, 3-(acetyloxy)-2,5-dimethyl-
Database identifiers
- CAS
62312-44-1- PubChem CID
- 536896
- DTXSID
DTXSID30336869
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 319 · 319.0±42.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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