6,7-dimethoxyquinoxalin-2-ol

• ChemBase ID: 75299
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: n1c(cnc2cc(c(cc12)OC)OC)O
• Canonical SMILES: COc1cc2nc(O)cnc2cc1OC
• InChI: InChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)12-10(13)5-11-6/h3-5H,1-2H3,(H,12,13)
• InChIKey: WXTHNWNCKJAQNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxyquinoxalin-2-ol
• IUPAC Traditional name: 6,7-dimethoxyquinoxalin-2-ol
• Synonyms: 2-Hydroxy-6,7-dimethoxyquinoxaline; 6,7-dimethoxyquinoxalin-2-ol; 6,7-dimethoxyquinoxalin-2-ol 6,7-dimethoxy-1H-quinoxalin-2-one

Database IDs

• CAS Number: 5739-98-0
• MDL Number: MFCD04038950
• PubChem SID: 162040217
• PubChem CID: 11333210

CALCULATED PROPERTIES

• Acid pKa: 12.049079
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2744612
• LogD (pH = 7.4): 1.2746164
• Log P: 1.274628
• Molar Refractivity: 52.6712 cm^3
• Polarizability: 21.695438 Å^3
• Polar Surface Area: 64.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 266 - 268°C
• Hydrophobicity(logP): 0.512

Product Information

• Purity: 95%; 98%