(1,2,3,4,4a,5,6,7,8,8a-13C10)naphthalen-1-ol

• ChemBase ID: 174968
• Molecular Formular: C10H8O
• Molecular Mass: 154.09646838
• Monoisotopic Mass: 154.09106326
• SMILES: [13cH]1[13cH][13cH][13c]2[13c]([13c]1O)[13cH][13cH][13cH][13cH]2
• Canonical SMILES: O[13c]1[13cH][13cH][13cH][13c]2[13c]1[13cH][13cH][13cH][13cH]2
• InChI: InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
• InChIKey: KJCVRFUGPWSIIH-IIYFYTTLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2,3,4,4a,5,6,7,8,8a-^1^3C₁₀)naphthalen-1-ol
• IUPAC Traditional name: (1,2,3,4,4a,5,6,7,8,8a-^1^3C₁₀)naphthalen-1-ol
• Synonyms: 1-Naphthalenol-13C10; 1-Hydroxynaphthalene-13C10; 1-Naphthyl Alcohol-13C10; C.I. 76605-13C10; Fouramine ERN-13C10; Fourrine 99-13C10; Fourrine ERN-13C10; Furro ER-13C10; NSC 9586-13C10; Nako TRB-13C10; Naphthol-1-13C10; Naphthyl-1-ol-13C10; Tertral ERN-13C10; Ursol ERN-13C10; Zoba ERN-13C10; α-Hydroxynaphthalene-13C10; α-Naphthol-13C10; α-Naphthyl Alcohol-13C10; 1-Naphthol-13C10

Database IDs

• PubChem SID: 164230878
• PubChem CID: 71750930

CALCULATED PROPERTIES

• Acid pKa: 9.601542
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6591232
• LogD (pH = 7.4): 2.6564522
• Log P: 2.6591573
• Molar Refractivity: 44.4891 cm^3
• Polarizability: 18.54935 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - N367992

Labelled 1-Naphthol (N367990). Used in the manufacturing of dyes, intermediates, synthetic perfumes.