5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

• ChemBase ID: 798162
• Molecular Formular: C11H12O
• Molecular Mass: 160.21238
• Monoisotopic Mass: 160.088815
• SMILES: C1Cc2c(CC1)ccc(c2)C=O
• Canonical SMILES: O=Cc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C11H12O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-8H,1-4H2
• InChIKey: NYNSNUNMTUNAEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
• IUPAC Traditional name: 5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
• Synonyms: 5,6,7,8-tetrahydroNaphthalene-2-carboxaldehyde

Database IDs

• CAS Number: 51529-97-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1380024
• LogD (pH = 7.4): 3.1380024
• Log P: 3.1380024
• Molar Refractivity: 50.1242 cm^3
• Polarizability: 18.712526 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%