2-methoxy-6-methylbenzaldehyde

• ChemBase ID: 180409
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: C(=O)c1c(cccc1C)OC
• Canonical SMILES: COc1cccc(c1C=O)C
• InChI: InChI=1S/C9H10O2/c1-7-4-3-5-9(11-2)8(7)6-10/h3-6H,1-2H3
• InChIKey: QLUHWZADTAIBKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-methylbenzaldehyde
• IUPAC Traditional name: 2-methoxy-6-methylbenzaldehyde
• Synonyms: 2-Methoxy-6-methylbenzaldehyde

Database IDs

• CAS Number: 54884-55-8
• MDL Number: MFCD08235006
• PubChem SID: 164236319
• PubChem CID: 640238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0414982
• LogD (pH = 7.4): 2.0414982
• Log P: 2.0414982
• Molar Refractivity: 44.1464 cm^3
• Polarizability: 16.503805 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%