3-Acetyl-1-methylpyridinium
Basic information
- CAS
51061-43-9- Standard SMILES
CC(=O)c1ccc[n+](C)c1- InChIKey
CFDNDRCKQUQBKN-UHFFFAOYSA-N- Molecular formula
- C8H10NO+
- Average molar mass
- 136.17 g/mol
- Monoisotopic mass
- 136.07623894
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 3-Acetyl-1-methylpyridinium
- IUPAC
- 1-(1-methylpyridin-1-ium-3-yl)ethanone
- English name
- 3-acetyl-1-methylpyridinium
- Molecular weight
- 0
Names & synonyms
3-Acetyl-1-methylpyridinium51061-43-9Pyridinium, 3-acetyl-1-methyl-DTXSID60199065RefChem:92790DTXCID901215563-ACETYL-1-METHYLPYRIDIN-1-IUMNCIOpen2_0033343-Acetyl-1-methyl-pyridiniumSCHEMBL700182DB-252324
Database identifiers
- CAS
51061-43-9- PubChem CID
- 415344
- DTXSID
DTXSID60199065- Nikkaji
- J471.820H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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Related reactions
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Compound notes
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