2-methoxy-3-methylbenzohydrazide

• ChemBase ID: 55928
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1(c(c(ccc1)C)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccc(c1OC)C
• InChI: InChI=1S/C9H12N2O2/c1-6-4-3-5-7(8(6)13-2)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: ADRNHEAMPFSFIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-methylbenzohydrazide
• IUPAC Traditional name: 2-methoxy-3-methylbenzohydrazide
• Synonyms: 2-Methoxy-3-methylbenzohydrazide

Database IDs

• MDL Number: MFCD02063004
• PubChem SID: 162060691
• PubChem CID: 720690

CALCULATED PROPERTIES

• Acid pKa: 13.690213
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8823779
• LogD (pH = 7.4): 0.88315046
• Log P: 0.88316053
• Molar Refractivity: 51.1249 cm^3
• Polarizability: 18.879383 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false