3-Acetyl-2-methylquinoline-4-carboxylic acid
Basic information
- CAS
106380-95-4- Standard SMILES
CC(=O)c1c(C)nc2ccccc2c1C(=O)O- InChIKey
HIPCSIUQHLNUFA-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 3-Acetyl-2-methylquinoline-4-carboxylic acid
- IUPAC
- 3-acetyl-2-methylquinoline-4-carboxylic acid
- English name
- 3-Acetyl-2-methylquinoline-4-carboxylic acid ,97%
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
3-acetyl-2-methylquinoline-4-carboxylic acid106380-95-4DTXSID90351619RefChem:276189DTXCID303026853-Acetyl-2-methylquinoline-4-carboxylic acid ,97per cent3-Acetyl-2-methylquinoline-4-carboxylicacidCambridge id 6150441SCHEMBL29952587SBB097436STK007814AKOS000513570
Show more names
3-Acetyl-2-methyl-4-quinolinecarboxylic acid4-Quinolinecarboxylic acid, 3-acetyl-2-methyl-3-Acetyl-2-methylquinoline-4-carboxylic acid ,97%
SB68881ST086591SR-01000505514SR-01000505514-1
Database identifiers
- CAS
106380-95-4- PubChem CID
- 705127
- DTXSID
DTXSID90351619
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 198 °C · 198 °C(Solv: ethanol (64-17-5))
- Boiling point
- 390.4 · 390.4±42.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 0.77 · 0.77±0.10(Predicted)
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Related reactions
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Compound notes
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