1-Azabicyclo(2.2.2)octane-2-carboxylic acid
Basic information
- CAS
52601-24-8- Standard SMILES
O=C(O)C1CC2CCN1CC2- InChIKey
LIUAALCHBQSCCX-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- 1-Azabicyclo(2.2.2)octane-2-carboxylic acid
- IUPAC
- 1-azabicyclo[2.2.2]octane-2-carboxylic acid
- English name
- 1-Azabicyclo[2.2.2]octane-2-carboxylic acid
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
52601-24-81-AZABICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACIDDTXSID704809161-Azabicyclo(2.2.2)octane-2-carboxylic acidRefChem:227620DTXCID70431726QUINUCLIDINE-2-CARBOXYLIC ACIDSCHEMBL572684LIUAALCHBQSCCX-UHFFFAOYSA-NQUINUCLIDINE-2-CARBOXYLICACIDMFCD18374384AKOS006311027
Show more names
methyl 5-propionylthiophene-2-carboxylate
racemic 2-quinuclidine carboxylic acidAB87002AB92113CS-0453259
Database identifiers
- CAS
52601-24-8- PubChem CID
- 12216967
- DTXSID
DTXSID70480916- Nikkaji
- J2.567.251H
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 284.5 · 284.5±23.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 2.45 · 2.45±0.20(Predicted)
Related reactions
6 records
Compound notes
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