5-(hydroxymethyl)-N-methylfuran-2-carboxamide

• ChemBase ID: 308795
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: c1(oc(cc1)CO)C(=O)NC
• Canonical SMILES: CNC(=O)c1ccc(o1)CO
• InChI: InChI=1S/C7H9NO3/c1-8-7(10)6-3-2-5(4-9)11-6/h2-3,9H,4H2,1H3,(H,8,10)
• InChIKey: CEBSWNKGLWHJRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(hydroxymethyl)-N-methylfuran-2-carboxamide
• IUPAC Traditional name: 5-(hydroxymethyl)-N-methylfuran-2-carboxamide
• Synonyms: 5-(hydroxymethyl)-N-methyl-2-furamide

Database IDs

• CAS Number: 1185320-28-8
• MDL Number: MFCD12827489

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7395398
• LogD (pH = 7.4): -0.7395402
• Log P: -0.7395398
• Molar Refractivity: 39.1174 cm^3
• Polarizability: 14.427379 Å^3
• Polar Surface Area: 62.47 Å^2