methyl acridine-9-carboxylate

• ChemBase ID: 173232
• Molecular Formular: C15H11NO2
• Molecular Mass: 237.25334
• Monoisotopic Mass: 237.0789786
• SMILES: c1cccc2c1c(c1c(n2)cccc1)C(=O)OC
• Canonical SMILES: COC(=O)c1c2ccccc2nc2c1cccc2
• InChI: InChI=1S/C15H11NO2/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3
• InChIKey: PGWHWYBRRVQFCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl acridine-9-carboxylate
• IUPAC Traditional name: methyl acridine-9-carboxylate
• Synonyms: 9-Acridinecarboxylic Acid Methyl Ester; Methyl 9-Acridinecarboxylate

Database IDs

• CAS Number: 5132-81-0
• PubChem SID: 164229142
• PubChem CID: 21211

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3941443
• LogD (pH = 7.4): 3.5080307
• Log P: 3.5097046
• Molar Refractivity: 68.0828 cm^3
• Polarizability: 28.981668 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Yellow Solid