1-(methoxymethyl)-1H-1,2,3-triazole-4-carbaldehyde

• ChemBase ID: 309874
• Molecular Formular: C5H7N3O2
• Molecular Mass: 141.12798
• Monoisotopic Mass: 141.05382648
• SMILES: n1nc(cn1COC)C=O
• Canonical SMILES: COCn1cc(nn1)C=O
• InChI: InChI=1S/C5H7N3O2/c1-10-4-8-2-5(3-9)6-7-8/h2-3H,4H2,1H3
• InChIKey: LVFDJMKABUVNGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-1H-1,2,3-triazole-4-carbaldehyde
• IUPAC Traditional name: 1-(methoxymethyl)-1,2,3-triazole-4-carbaldehyde
• Synonyms: 1-(methoxymethyl)-1H-1,2,3-triazole-4-carbaldehyde

Database IDs

• MDL Number: MFCD18917085

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.47040078
• LogD (pH = 7.4): 0.47040093
• Log P: 0.47040093
• Molar Refractivity: 45.3702 cm^3
• Polarizability: 12.658991 Å^3
• Polar Surface Area: 57.01 Å^2