2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-ol

• ChemBase ID: 307446
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: O1c2c(OCC1CCO)cccc2
• Canonical SMILES: OCCC1COc2c(O1)cccc2
• InChI: InChI=1S/C10H12O3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8,11H,5-7H2
• InChIKey: VRCHCDXHBXLNKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanol
• Synonyms: 2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanol

Database IDs

• CAS Number: 62590-71-0
• MDL Number: MFCD01728056

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.91600317
• LogD (pH = 7.4): 0.9160031
• Log P: 0.91600317
• Molar Refractivity: 47.8433 cm^3
• Polarizability: 18.946224 Å^3
• Polar Surface Area: 38.69 Å^2