2-butoxy-3-methoxybenzaldehyde

• ChemBase ID: 312097
• Molecular Formular: C12H16O3
• Molecular Mass: 208.25364
• Monoisotopic Mass: 208.10994437
• SMILES: c1(c(C=O)cccc1OC)OCCCC
• Canonical SMILES: CCCCOc1c(OC)cccc1C=O
• InChI: InChI=1S/C12H16O3/c1-3-4-8-15-12-10(9-13)6-5-7-11(12)14-2/h5-7,9H,3-4,8H2,1-2H3
• InChIKey: KFSWONZYRSVJJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxy-3-methoxybenzaldehyde
• IUPAC Traditional name: 2-butoxy-3-methoxybenzaldehyde
• Synonyms: 2-butoxy-3-methoxybenzaldehyde

Database IDs

• CAS Number: 65712-73-4
• MDL Number: MFCD07358568

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6943047
• LogD (pH = 7.4): 2.6943047
• Log P: 2.6943047
• Molar Refractivity: 59.442 cm^3
• Polarizability: 22.784256 Å^3
• Polar Surface Area: 35.53 Å^2