7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one

• ChemBase ID: 797801
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: c1(cc2c(cc1)CCCC2=O)O
• Canonical SMILES: Oc1ccc2c(c1)C(=O)CCC2
• InChI: InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,11H,1-3H2
• InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one
• IUPAC Traditional name: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one
• Synonyms: 7-Hydroxy-3,4-dihydro-2H-naphthalen-1-one

Database IDs

• CAS Number: 22009-38-7

CALCULATED PROPERTIES

• Acid pKa: 8.88635
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9773821
• LogD (pH = 7.4): 1.9637043
• Log P: 1.9775593
• Molar Refractivity: 46.3076 cm^3
• Polarizability: 17.616182 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%