8-Acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Basic information
- CAS
312714-12-8- Standard SMILES
CC(=O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2- InChIKey
MAHHEUJIITYGOD-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 8-Acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
- IUPAC
- 8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
- English name
- 8-Acetyl-3a,4,5,9b-tetrahydro-3 H-cyclopenta[ C ]quinoline-4-carboxylic acid
- Molecular formula
- C15H15NO3
- Molecular weight
- 257.28
Names & synonyms
312714-12-88-Acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acidMLS000713690C15H15NO3SMR0002731718-acetyl-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinoline-4-carboxylic acid9890ADP00049CHEMBL1567396SCHEMBL16706084BDBM48826cid_3136298
Show more names
Reaxys ID: 185514593H-Cyclopenta[c]quinoline-4-carboxylic acid, 8-acetyl-3a,4,5,9b-tetrahydro-8-Acetyl-3a,4,5,9b-tetrahydro-3 H-cyclopenta[ C ]quinoline-4-carboxylic acid
DTXSID70389677HMS2626M03KUC112436NSBB027596AKOS000301194AKOS016344596KSC-285-129-1ST50011184
Database identifiers
- CAS
312714-12-8- PubChem CID
- 3136298
- DTXSID
DTXSID70389677- ChEMBL
CHEMBL1567396
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 483.4 · 483.4±45.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 3.82 · 3.82±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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