2-phenoxyacetohydrazide

• ChemBase ID: 25798
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(NN)COc1ccccc1
• Canonical SMILES: NNC(=O)COc1ccccc1
• InChI: InChI=1S/C8H10N2O2/c9-10-8(11)6-12-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
• InChIKey: XSONSBDQIFBIOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxyacetohydrazide
• IUPAC Traditional name: 2-phenoxyacetohydrazide
• Synonyms: 2-Phenoxyacetohydrazide

Database IDs

• MDL Number: MFCD00297030
• PubChem SID: 160989105
• PubChem CID: 101390

CALCULATED PROPERTIES

• Acid pKa: 12.216652
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.18872139
• LogD (pH = 7.4): 0.1901156
• Log P: 0.19013955
• Molar Refractivity: 44.9121 cm^3
• Polarizability: 17.33072 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false