3-ethoxy-2-methoxybenzaldehyde

• ChemBase ID: 233300
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: c1(c(C=O)cccc1OCC)OC
• Canonical SMILES: CCOc1cccc(c1OC)C=O
• InChI: InChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(7-11)10(9)12-2/h4-7H,3H2,1-2H3
• InChIKey: RFFOODCKJPANTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 75792-34-6
• MDL Number: MFCD04638769
• PubChem SID: 164289210
• PubChem CID: 2414119

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7272136
• LogD (pH = 7.4): 1.7272136
• Log P: 1.7272136
• Molar Refractivity: 50.317 cm^3
• Polarizability: 19.106386 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.979

Product Information

• Purity: 95%