4-[(6-methylpyrazin-2-yl)oxy]benzaldehyde

• ChemBase ID: 77474
• Molecular Formular: C12H10N2O2
• Molecular Mass: 214.22
• Monoisotopic Mass: 214.07422757
• SMILES: O=Cc1ccc(cc1)Oc1nc(cnc1)C
• Canonical SMILES: O=Cc1ccc(cc1)Oc1cncc(n1)C
• InChI: InChI=1S/C12H10N2O2/c1-9-6-13-7-12(14-9)16-11-4-2-10(8-15)3-5-11/h2-8H,1H3
• InChIKey: VUPYANPNFUPQQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-methylpyrazin-2-yl)oxy]benzaldehyde
• IUPAC Traditional name: 4-[(6-methylpyrazin-2-yl)oxy]benzaldehyde
• Synonyms: 4-[(6-Methylpyrazin-2-yl)oxy]benzaldehyde 97%; 4-[(6-methylpyrazin-2-yl)oxy]benzaldehyde

Database IDs

• CAS Number: 906353-01-3
• MDL Number: MFCD09817531
• PubChem SID: 162042346
• PubChem CID: 24229689

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4765162
• LogD (pH = 7.4): 1.4765182
• Log P: 1.4765182
• Molar Refractivity: 59.474 cm^3
• Polarizability: 22.527777 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72-73°C

Safety Information

• Storage Warning: Toxic/Harmful

Product Information

• Purity: 97%