3-ethanehydrazonoylphenol

• ChemBase ID: 240043
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: c1(/C(=N/N)/C)cc(O)ccc1
• Canonical SMILES: N/N=C(/c1cccc(c1)O)\C
• InChI: InChI=1S/C8H10N2O/c1-6(10-9)7-3-2-4-8(11)5-7/h2-5,11H,9H2,1H3
• InChIKey: USMISKWPNHPNQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethanehydrazonoylphenol
• IUPAC Traditional name: 3-ethanehydrazonoylphenol
• Synonyms: 3-ethanehydrazonoylphenol

Database IDs

• MDL Number: MFCD11101103
• PubChem SID: 164295953
• PubChem CID: 46741304

CALCULATED PROPERTIES

• Acid pKa: 9.163608
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9376749
• LogD (pH = 7.4): 0.93606544
• Log P: 0.9435138
• Molar Refractivity: 44.9829 cm^3
• Polarizability: 16.75456 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.404

Product Information

• Purity: 95%