2-hydroxy-9,10-dihydroacridin-9-one

• ChemBase ID: 232137
• Molecular Formular: C13H9NO2
• Molecular Mass: 211.21606
• Monoisotopic Mass: 211.06332853
• SMILES: c1(=O)c2c([nH]c3c1cccc3)ccc(c2)O
• Canonical SMILES: Oc1ccc2c(c1)c(=O)c1c([nH]2)cccc1
• InChI: InChI=1S/C13H9NO2/c15-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)14-12/h1-7,15H,(H,14,16)
• InChIKey: IQJICBDZRSNSEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-9,10-dihydroacridin-9-one
• IUPAC Traditional name: 2-hydroxy-10H-acridin-9-one
• Synonyms: 2-Hydroxy-10H-acridin-9-one

Database IDs

• CAS Number: 7466-73-1
• MDL Number: MFCD03957730
• PubChem SID: 164288047
• PubChem CID: 436659

CALCULATED PROPERTIES

• Acid pKa: 9.867019
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.8956947
• LogD (pH = 7.4): 3.8942423
• Log P: 3.8957136
• Molar Refractivity: 61.0426 cm^3
• Polarizability: 22.985815 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 319 - 321°C
• Hydrophobicity(logP): 1.328

Product Information

• Purity: 95%