2-(2-methoxyphenoxy)acetohydrazide

• ChemBase ID: 21641
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: C(=O)(NN)COc1c(OC)cccc1
• Canonical SMILES: NNC(=O)COc1ccccc1OC
• InChI: InChI=1S/C9H12N2O3/c1-13-7-4-2-3-5-8(7)14-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
• InChIKey: WGQDMRNLIVOSOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(2-methoxyphenoxy)acetohydrazide
• Synonyms: 2-(2-Methoxyphenoxy)acetohydrazide; (2-Methoxy-phenoxy)-acetic acid hydrazide

Database IDs

• CAS Number: 107967-88-4
• MDL Number: MFCD00553729
• PubChem SID: 160984948
• PubChem CID: 580001

CALCULATED PROPERTIES

• Acid pKa: 11.950165
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.031049963
• LogD (pH = 7.4): 0.03243926
• Log P: 0.032468285
• Molar Refractivity: 51.3753 cm^3
• Polarizability: 19.871243 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101 - 103°C
• Hydrophobicity(logP): -0.052

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%