2-ethyl-3-methoxybenzaldehyde

• ChemBase ID: 292934
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: CCc1c(C=O)cccc1OC
• Canonical SMILES: COc1cccc(c1CC)C=O
• InChI: InChI=1S/C10H12O2/c1-3-9-8(7-11)5-4-6-10(9)12-2/h4-7H,3H2,1-2H3
• InChIKey: XAZIIELXPCMIED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-3-methoxybenzaldehyde
• IUPAC Traditional name: 2-ethyl-3-methoxybenzaldehyde
• Synonyms: 2-Ethyl-3-methoxybenzaldehyde

Database IDs

• CAS Number: 722492-70-8
• PubChem SID: 180678465
• PubChem CID: 59598631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.486067
• LogD (pH = 7.4): 2.486067
• Log P: 2.486067
• Molar Refractivity: 48.7474 cm^3
• Polarizability: 18.343962 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%