naphtho[2,1-b]furan-2-carboxylic acid

• ChemBase ID: 311749
• Molecular Formular: C13H8O3
• Molecular Mass: 212.20082
• Monoisotopic Mass: 212.04734412
• SMILES: c1(cc2c(o1)ccc1c2cccc1)C(=O)O
• Canonical SMILES: OC(=O)c1oc2c(c1)c1ccccc1cc2
• InChI: InChI=1S/C13H8O3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H,(H,14,15)
• InChIKey: QVRZMUFOHNANGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphtho[2,1-b]furan-2-carboxylic acid
• IUPAC Traditional name: naphtho[2,1-b]furan-2-carboxylic acid
• Synonyms: naphtho[2,1-b]furan-2-carboxylic acid

Database IDs

• CAS Number: 5656-67-7
• MDL Number: MFCD01837041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.32797742
• LogD (pH = 7.4): -0.76214427
• Log P: 2.69943
• Molar Refractivity: 58.483 cm^3
• Polarizability: 24.577862 Å^3
• Polar Surface Area: 50.44 Å^2