2-(2-methoxyphenyl)acetohydrazide

• ChemBase ID: 53443
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(Cc1c(OC)cccc1)NN
• Canonical SMILES: NNC(=O)Cc1ccccc1OC
• InChI: InChI=1S/C9H12N2O2/c1-13-8-5-3-2-4-7(8)6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
• InChIKey: XOJKKBKZYLQRMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)acetohydrazide
• IUPAC Traditional name: 2-(2-methoxyphenyl)acetohydrazide
• Synonyms: 2-(2-Methoxyphenyl)acetohydrazide

Database IDs

• CAS Number: 34547-26-7
• MDL Number: MFCD01610169
• PubChem SID: 162058206
• PubChem CID: 17609289

CALCULATED PROPERTIES

• Acid pKa: 12.594239
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.34813198
• LogD (pH = 7.4): 0.34987962
• Log P: 0.34990454
• Molar Refractivity: 50.1351 cm^3
• Polarizability: 19.164722 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C; 115 - 116 °C
• Hydrophobicity(logP): 0.063

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%