2-[N-(2-hydroxyphenyl)carboximidoyl]phenol

• ChemBase ID: 108684
• Molecular Formular: C13H11NO2
• Molecular Mass: 213.23194
• Monoisotopic Mass: 213.0789786
• SMILES: Oc1ccccc1/C=N/c1ccccc1O
• Canonical SMILES: Oc1ccccc1/C=N/c1ccccc1O
• InChI: InChI=1S/C13H11NO2/c15-12-7-3-1-5-10(12)9-14-11-6-2-4-8-13(11)16/h1-9,15-16H
• InChIKey: CHBGIQHEGBKNGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[N-(2-hydroxyphenyl)carboximidoyl]phenol
• IUPAC Traditional name: 2-[N-(2-hydroxyphenyl)carboximidoyl]phenol
• Synonyms: N-(SALICYLIDENE)-2-HYDROXYANILINE; SALICYLIDENE-o-AMINOPHENOL

Database IDs

• CAS Number: 1761-56-4
• PubChem SID: 162096083
• PubChem CID: 5370974

CALCULATED PROPERTIES

• Acid pKa: 8.166748
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.239441
• LogD (pH = 7.4): 3.1704748
• Log P: 3.240376
• Molar Refractivity: 65.3494 cm^3
• Polarizability: 23.672625 Å^3
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183°C

DETAILS

MP Biomedicals - 05208309

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05218361

MP Biomedicals Rare Chemical collection