(3aR,4S,9bS)-8-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Basic information
- CAS
956629-74-6- Standard SMILES
Cc1cc(Cl)cc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@H]21- InChIKey
QGBJKSXGAYOVCU-CWSCBRNRSA-N- Molecular formula
- C14H14ClNO2
- Average molar mass
- 263.72 g/mol
Names & identifiers
- Preferred name
- (3aR,4S,9bS)-8-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
- IUPAC
- (3aR,4S,9bS)-8-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
- English name
- (3aR,4S,9bS)-8-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
- Molecular formula
- C14H14ClNO2
- Molecular weight
- 263.72
Names & synonyms
956629-74-6(3aR,4S,9bS)-8-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid2737483-57-5AKOS001476833(3aR,4S,9bS)-8-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylicacid3H-Cyclopenta[c]quinoline-4-carboxylic acid, 8-chloro-3a,4,5,9b-tetrahydro-6-methyl-, (3aR,4S,9bS)-
Database identifiers
- CAS
956629-74-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 428.8 · 428.8±45.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 2 · 2.00±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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