1-Azaspiro[4.4]nonane-2-carboxylic acid
Basic information
- CAS
96798-47-9- Standard SMILES
O=C(O)C1CCC2(CCCC2)N1- InChIKey
ZXMYUPJTDAGGFW-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- 1-Azaspiro[4.4]nonane-2-carboxylic acid
- IUPAC
- 1-azaspiro[4.4]nonane-2-carboxylic acid
- English name
- 1-Azaspiro[4.4]nonane-2-carboxylicacid(9CI)
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
1-azaspiro[4.4]nonane-2-carboxylic acid96798-47-91-Azaspiro[4.4]nonane-2-carboxylicacidSCHEMBL9172315DTXSID60596934DB-2593851-Aza-spiro[4.4]nonane-2-carboxylic acid1-Azaspiro[4.4]nonane-2-carboxylicacid(9CI)
Database identifiers
- CAS
96798-47-9- PubChem CID
- 18965005
- DTXSID
DTXSID60596934
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 326.8 · 326.8±35.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 2.31 · 2.31±0.20(Predicted)
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Related reactions
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Compound notes
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