2-(3-methoxyphenyl)acetohydrazide

• ChemBase ID: 53444
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(NN)Cc1cc(OC)ccc1
• Canonical SMILES: NNC(=O)Cc1cccc(c1)OC
• InChI: InChI=1S/C9H12N2O2/c1-13-8-4-2-3-7(5-8)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
• InChIKey: XEALVGVRTCEVES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)acetohydrazide
• IUPAC Traditional name: 2-(3-methoxyphenyl)acetohydrazide
• Synonyms: 2-(3-Methoxyphenyl)acetohydrazide; 2-(3-methoxyphenyl)ethanohydrazide; 2-(3-Methoxyphenyl)acetohydrazide; 3-Methoxyphenylacetic acid hydrazide 97%

Database IDs

• CAS Number: 34624-38-9
• MDL Number: MFCD00085106
• PubChem SID: 162058207
• PubChem CID: 2774978

CALCULATED PROPERTIES

• Acid pKa: 12.59291
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3481314
• LogD (pH = 7.4): 0.3498796
• Log P: 0.34990454
• Molar Refractivity: 50.1351 cm^3
• Polarizability: 19.164555 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45°C; 88 - 90 °C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 97%