8-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

• ChemBase ID: 188106
• Molecular Formular: C10H10O4
• Molecular Mass: 194.184
• Monoisotopic Mass: 194.0579088
• SMILES: c12c(c(ccc1OC)C=O)OCCO2
• Canonical SMILES: COc1ccc(c2c1OCCO2)C=O
• InChI: InChI=1S/C10H10O4/c1-12-8-3-2-7(6-11)9-10(8)14-5-4-13-9/h2-3,6H,4-5H2,1H3
• InChIKey: ZMLVTKKIMDNHCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
• IUPAC Traditional name: 8-methoxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

Database IDs

• PubChem SID: 164244016
• PubChem CID: 4359894

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0412095
• LogD (pH = 7.4): 1.0412095
• Log P: 1.0412095
• Molar Refractivity: 50.0626 cm^3
• Polarizability: 19.096989 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds