7-hydroxynaphthalene-1-carbonitrile

• ChemBase ID: 78920
• Molecular Formular: C11H7NO
• Molecular Mass: 169.17938
• Monoisotopic Mass: 169.05276385
• SMILES: N#Cc1cccc2ccc(cc12)O
• Canonical SMILES: N#Cc1cccc2c1cc(O)cc2
• InChI: InChI=1S/C11H7NO/c12-7-9-3-1-2-8-4-5-10(13)6-11(8)9/h1-6,13H
• InChIKey: UDGWTXRLMHXQKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxynaphthalene-1-carbonitrile
• IUPAC Traditional name: 7-hydroxynaphthalene-1-carbonitrile
• Synonyms: 7-Hydroxynaphthalene-1-carbonitrile

Database IDs

• CAS Number: 19307-13-2
• MDL Number: MFCD03695467
• PubChem SID: 162043683
• PubChem CID: 22048162

CALCULATED PROPERTIES

• Polarizability: 20.3225 Å^3
• Polar Surface Area: 44.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 8.545827
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5148652
• LogD (pH = 7.4): 2.4854586
• Log P: 2.5152535
• Molar Refractivity: 50.2107 cm^3