2-phenoxypropanehydrazide

• ChemBase ID: 27186
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(C(Oc1ccccc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccccc1)C
• InChI: InChI=1S/C9H12N2O2/c1-7(9(12)11-10)13-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)
• InChIKey: GSFLSJRVNIXWKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxypropanehydrazide
• IUPAC Traditional name: 2-phenoxypropanehydrazide
• Synonyms: 2-Phenoxypropanohydrazide

Database IDs

• CAS Number: 52094-92-5
• MDL Number: MFCD01463172
• PubChem SID: 160990493
• PubChem CID: 381468

CALCULATED PROPERTIES

• Acid pKa: 12.278392
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.75750613
• LogD (pH = 7.4): 0.7588809
• Log P: 0.7589038
• Molar Refractivity: 49.406 cm^3
• Polarizability: 19.167715 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