7-methyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

• ChemBase ID: 308290
• Molecular Formular: C10H10O3
• Molecular Mass: 178.1846
• Monoisotopic Mass: 178.06299418
• SMILES: c12c(cc(c(c1)C=O)C)OCCO2
• Canonical SMILES: O=Cc1cc2OCCOc2cc1C
• InChI: InChI=1S/C10H10O3/c1-7-4-9-10(5-8(7)6-11)13-3-2-12-9/h4-6H,2-3H2,1H3
• InChIKey: HQDFDCPSGBNTRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
• IUPAC Traditional name: 7-methyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
• Synonyms: 7-methyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

Database IDs

• CAS Number: 724791-20-2
• MDL Number: MFCD11053948

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7123021
• LogD (pH = 7.4): 1.7123021
• Log P: 1.7123021
• Molar Refractivity: 48.6406 cm^3
• Polarizability: 18.307789 Å^3
• Polar Surface Area: 35.53 Å^2