N-(4-acetyl-3-hydroxyphenyl)acetamide

• ChemBase ID: 101035
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: c1(c(cc(NC(=O)C)cc1)O)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)O)C(=O)C
• InChI: InChI=1S/C10H11NO3/c1-6(12)9-4-3-8(5-10(9)14)11-7(2)13/h3-5,14H,1-2H3,(H,11,13)
• InChIKey: ZSSHNMZQDWSUJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetyl-3-hydroxyphenyl)acetamide
• IUPAC Traditional name: N-(4-acetyl-3-hydroxyphenyl)acetamide
• Synonyms: N1-(4-acetyl-3-hydroxyphenyl)acetamide; N-(4-acetyl-3-hydroxyphenyl)acetamide

Database IDs

• CAS Number: 40547-58-8
• MDL Number: MFCD00026134
• PubChem SID: 162086709
• PubChem CID: 2775185

CALCULATED PROPERTIES

• Acid pKa: 9.8319845
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1150184
• LogD (pH = 7.4): 1.1134473
• Log P: 1.1150384
• Molar Refractivity: 53.3047 cm^3
• Polarizability: 19.5729 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: TECH