Propan-2-yl 3-methylimidazol-3-ium-1-carboxylate
Basic information
- CAS
784076-46-6- Standard SMILES
CC(C)OC(=O)n1cc[n+](C)c1- InChIKey
WYCRNUPRTVFEGE-UHFFFAOYSA-N- Molecular formula
- C8H13N2O2+
- Average molar mass
- 169.2 g/mol
Names & identifiers
- Preferred name
- Propan-2-yl 3-methylimidazol-3-ium-1-carboxylate
- IUPAC
- propan-2-yl 3-methylimidazol-3-ium-1-carboxylate
- English name
- 1H-Imidazolium,1-methyl-3-[(1-methylethoxy)carbonyl]-(9CI)
- Molecular formula
- C8H13N2O2+
- Molecular weight
- 169.20102
Names & synonyms
1H-Imidazolium,1-methyl-3-[(1-methylethoxy)carbonyl]-(9CI)
Database identifiers
- CAS
784076-46-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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