2-(4-hydroxyphenyl)acetohydrazide

• ChemBase ID: 27268
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(NN)Cc1ccc(cc1)O
• Canonical SMILES: NNC(=O)Cc1ccc(cc1)O
• InChI: InChI=1S/C8H10N2O2/c9-10-8(12)5-6-1-3-7(11)4-2-6/h1-4,11H,5,9H2,(H,10,12)
• InChIKey: YJKVPKGOZNHONU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxyphenyl)acetohydrazide
• IUPAC Traditional name: 2-(4-hydroxyphenyl)acetohydrazide
• Synonyms: 2-(4-Hydroxyphenyl)acetohydrazide

Database IDs

• CAS Number: 20277-02-5
• MDL Number: MFCD01922174
• PubChem SID: 160990575
• PubChem CID: 3731866

CALCULATED PROPERTIES

• Acid pKa: 9.496876
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.20219386
• LogD (pH = 7.4): 0.20054771
• Log P: 0.20401047
• Molar Refractivity: 45.6528 cm^3
• Polarizability: 17.257324 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false