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Basic information
- Standard SMILES
CC(=O)Oc1ccc[n+](C)c1- InChIKey
YYKRQRBANCRTDA-UHFFFAOYSA-N- Molecular formula
- C8H10NO2+
- Average molar mass
- 152.17 g/mol
- Monoisotopic mass
- 152.07115356
Names & identifiers
- Preferred name
- (1-Methylpyridin-1-ium-3-yl) acetate
- IUPAC
- (1-methylpyridin-1-ium-3-yl) acetate
Database identifiers
- PubChem CID
- 207256
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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