Basic information
- CAS
48128-20-7- Standard SMILES
CC[n+]1ccc(C(=O)OC)cc1- InChIKey
CXUZILQYXHNBRR-UHFFFAOYSA-N- Molecular formula
- C9H12NO2+
- Average molar mass
- 166.2 g/mol
- Monoisotopic mass
- 166.08680363
Names & identifiers
- Preferred name
- 1-Ethyl-4-(methoxycarbonyl)pyridinium
- IUPAC
- methyl 1-ethylpyridin-1-ium-4-carboxylate
Names & synonyms
1-ethyl-4-(methoxycarbonyl)pyridinium48128-20-7DTXSID20275713RefChem:230331DTXCID402271131-ETHYL-4-(METHOXYCARBONYL)PYRIDIN-1-IUMSCHEMBL5681926NS00114817
Database identifiers
- CAS
48128-20-7- PubChem CID
- 70985
- DTXSID
DTXSID20275713- Nikkaji
- J253.885G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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