2-(9-oxo-9,10-dihydroacridin-10-yl)acetic acid

• ChemBase ID: 14153
• Molecular Formular: C15H11NO3
• Molecular Mass: 253.25274
• Monoisotopic Mass: 253.07389322
• SMILES: n1(c2c(c(=O)c3c1cccc3)cccc2)CC(=O)O
• Canonical SMILES: OC(=O)Cn1c2ccccc2c(=O)c2c1cccc2
• InChI: InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)
• InChIKey: UOMKBIIXHQIERR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(9-oxo-9,10-dihydroacridin-10-yl)acetic acid
• IUPAC Traditional name: 2-(9-oxo-9,10-dihydroacridin-10-yl)acetic acid; (9-oxoacridin-10-yl)acetic acid
• Synonyms: 2-(9-oxoacridin-10(9H)-yl)acetic acid; 10-Carboxymethylacridanone; (9-Oxo-9H-acridin-10-yl)-acetic acid; (9-oxoacridin-10(9H)-yl)acetic acid

Database IDs

• CAS Number: 38609-97-1
• MDL Number: MFCD00157050
• PubChem SID: 160977460
• PubChem CID: 38072

CALCULATED PROPERTIES

• Acid pKa: 3.6768582
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.77977407
• LogD (pH = 7.4): -0.7137116
• Log P: 2.600938
• Molar Refractivity: 70.043 cm^3
• Polarizability: 26.578007 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.314

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Pharmacology Properties

• Mechanism of Action: Interferon inducer

Product Information

• Purity: 95%
• Application(s): Virucide