2,7-dimethoxynaphthalene-1-carbaldehyde

• ChemBase ID: 311536
• Molecular Formular: C13H12O3
• Molecular Mass: 216.23258
• Monoisotopic Mass: 216.07864424
• SMILES: c1(c2c(ccc1OC)ccc(c2)OC)C=O
• Canonical SMILES: COc1ccc2c(c1)c(C=O)c(cc2)OC
• InChI: InChI=1S/C13H12O3/c1-15-10-5-3-9-4-6-13(16-2)12(8-14)11(9)7-10/h3-8H,1-2H3
• InChIKey: PTTJQHKRNJYUGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethoxynaphthalene-1-carbaldehyde
• IUPAC Traditional name: 2,7-dimethoxynaphthalene-1-carbaldehyde
• Synonyms: 2,7-dimethoxy-1-naphthaldehyde

Database IDs

• CAS Number: 51385-93-4
• MDL Number: MFCD00453091

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3598824
• LogD (pH = 7.4): 2.3598824
• Log P: 2.3598824
• Molar Refractivity: 62.0186 cm^3
• Polarizability: 24.774143 Å^3
• Polar Surface Area: 35.53 Å^2