N-(2-hydroxyphenyl)ethanimidic acid

• ChemBase ID: 104079
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: C/C(=N/c1ccccc1O)/O
• Canonical SMILES: C/C(=N/c1ccccc1O)/O
• InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
• InChIKey: ADVGKWPZRIDURE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyphenyl)ethanimidic acid
• IUPAC Traditional name: N-(2-hydroxyphenyl)ethanimidic acid
• Synonyms: 2-Hydroxyacetanilide; 2-ACETAMIDOPHENOL

Database IDs

• CAS Number: 614-80-2
• EC Number: 210-396-9
• PubChem SID: 162092425
• PubChem CID: 11972

CALCULATED PROPERTIES

• Acid pKa: 7.0544863
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.272907
• LogD (pH = 7.4): 1.7760359
• Log P: 2.2848475
• Molar Refractivity: 43.657 cm^3
• Polarizability: 15.765738 Å^3
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207-210°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02154676

(2-Hydroxyacetanilide) Tan powder