3-methoxynaphthalene-2-carbaldehyde

• ChemBase ID: 292064
• Molecular Formular: C12H10O2
• Molecular Mass: 186.2066
• Monoisotopic Mass: 186.06807956
• SMILES: O=Cc1c(OC)cc2ccccc2c1
• Canonical SMILES: O=Cc1cc2ccccc2cc1OC
• InChI: InChI=1S/C12H10O2/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h2-8H,1H3
• InChIKey: OQDOWNJLYIFTHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxynaphthalene-2-carbaldehyde
• IUPAC Traditional name: 3-methoxynaphthalene-2-carbaldehyde
• Synonyms: 3-Methoxy-2-naphthaldehyde

Database IDs

• CAS Number: 56679-88-0
• MDL Number: MFCD13191799
• PubChem SID: 180677595
• PubChem CID: 11321374

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5175536
• LogD (pH = 7.4): 2.5175536
• Log P: 2.5175536
• Molar Refractivity: 55.5554 cm^3
• Polarizability: 22.288378 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%