2,6,8-Trimethylquinoline-3-carboxylic acid

Base Information

• Chemical Name: 2,6,8-Trimethylquinoline-3-carboxylic acid
• CAS No.: 876721-02-7
• Molecular Formula: C13H13NO2
• Molecular Weight: 215.25
• DSSTox Substance ID: DTXSID90390265
• Wikidata: Q82186816
• Mol file: 876721-02-7.mol

Synonyms:2,6,8-trimethylquinoline-3-carboxylic acid;876721-02-7;2,6,8-Trimethyl-quinoline-3-carboxylic acid;DTXSID90390265;Methyl2-(Bromomethyl)benzeneacetate;MFCD07186464;AKOS000302709;AB30583;2,6,8-trimethylquinoline-3-carboxylicacid;FT-0723870

Chemical Property of 2,6,8-Trimethylquinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.02E-06mmHg at 25°C
• PKA: 1.27±0.30(Predicted)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

98%min ^*data from raw suppliers

2,6,8-Trimethyl-quinoline-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1)C=C(C(=N2)C)C(=O)O)C