2-hydroxy-4-methylbenzohydrazide

• ChemBase ID: 260733
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1(C(=O)NN)c(cc(cc1)C)O
• Canonical SMILES: NNC(=O)c1ccc(cc1O)C
• InChI: InChI=1S/C8H10N2O2/c1-5-2-3-6(7(11)4-5)8(12)10-9/h2-4,11H,9H2,1H3,(H,10,12)
• InChIKey: CIPACNIYKFAUQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-4-methylbenzohydrazide
• IUPAC Traditional name: 2-hydroxy-4-methylbenzohydrazide
• Synonyms: 2-hydroxy-4-methylbenzohydrazide

Database IDs

• MDL Number: MFCD09948889
• PubChem SID: 164316643
• PubChem CID: 24709215

CALCULATED PROPERTIES

• Acid pKa: 8.216301
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.3860271
• LogD (pH = 7.4): 1.326036
• Log P: 1.3872665
• Molar Refractivity: 46.6426 cm^3
• Polarizability: 16.973896 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 1.386

Product Information

• Purity: 95%