3-methoxy-2-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde

• ChemBase ID: 312104
• Molecular Formular: C12H14O3
• Molecular Mass: 206.23776
• Monoisotopic Mass: 206.09429431
• SMILES: c1(OCC(=C)C)c(C=O)cccc1OC
• Canonical SMILES: COc1cccc(c1OCC(=C)C)C=O
• InChI: InChI=1S/C12H14O3/c1-9(2)8-15-12-10(7-13)5-4-6-11(12)14-3/h4-7H,1,8H2,2-3H3
• InChIKey: AVRUZEFBLUNACM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde
• IUPAC Traditional name: 3-methoxy-2-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde
• Synonyms: 3-methoxy-2-[(2-methyl-2-propen-1-yl)oxy]benzaldehyde

Database IDs

• CAS Number: 110124-13-5
• MDL Number: MFCD08691807

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3450167
• LogD (pH = 7.4): 2.3450167
• Log P: 2.3450167
• Molar Refractivity: 59.0131 cm^3
• Polarizability: 22.541725 Å^3
• Polar Surface Area: 35.53 Å^2