1-(2-methoxyethyl)-1H-imidazole-2-carbaldehyde

• ChemBase ID: 307919
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: c1(n(ccn1)CCOC)C=O
• Canonical SMILES: COCCn1ccnc1C=O
• InChI: InChI=1S/C7H10N2O2/c1-11-5-4-9-3-2-8-7(9)6-10/h2-3,6H,4-5H2,1H3
• InChIKey: JHQSYDUBFCLNNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-1H-imidazole-2-carbaldehyde
• IUPAC Traditional name: 1-(2-methoxyethyl)imidazole-2-carbaldehyde
• Synonyms: 1-(2-methoxyethyl)-1H-imidazole-2-carbaldehyde

Database IDs

• CAS Number: 558446-64-3
• MDL Number: MFCD09694004

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.38967767
• LogD (pH = 7.4): 0.4099505
• Log P: 0.41021636
• Molar Refractivity: 41.001 cm^3
• Polarizability: 15.226446 Å^3
• Polar Surface Area: 44.12 Å^2