2-(naphthalen-1-yl)acetaldehyde

• ChemBase ID: 813117
• Molecular Formular: C12H10O
• Molecular Mass: 170.2072
• Monoisotopic Mass: 170.07316494
• SMILES: C(C=O)c1c2ccccc2ccc1
• Canonical SMILES: O=CCc1cccc2c1cccc2
• InChI: InChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2
• InChIKey: CCHAJZURXPPHJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)acetaldehyde
• IUPAC Traditional name: 2-(naphthalen-1-yl)acetaldehyde
• Synonyms: 2-NAPHTHYLACETALDEHYDE

Database IDs

• CAS Number: 70080-13-6

CALCULATED PROPERTIES

• Acid pKa: 14.493861
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4418547
• LogD (pH = 7.4): 2.4418545
• Log P: 2.4418547
• Molar Refractivity: 52.8904 cm^3
• Polarizability: 21.696806 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%