2-[(6-methoxynaphthalen-2-yl)oxy]acetohydrazide

• ChemBase ID: 27321
• Molecular Formular: C13H14N2O3
• Molecular Mass: 246.26186
• Monoisotopic Mass: 246.10044232
• SMILES: C(=O)(NN)COc1cc2c(cc(cc2)OC)cc1
• Canonical SMILES: NNC(=O)COc1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C13H14N2O3/c1-17-11-4-2-10-7-12(5-3-9(10)6-11)18-8-13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
• InChIKey: PMLLDVMDXUTPPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-methoxynaphthalen-2-yl)oxy]acetohydrazide
• IUPAC Traditional name: 2-[(6-methoxynaphthalen-2-yl)oxy]acetohydrazide
• Synonyms: 2-[(6-Methoxy-2-naphthyl)oxy]acetohydrazide

Database IDs

• MDL Number: MFCD03419406
• PubChem SID: 160990628
• PubChem CID: 4396111

CALCULATED PROPERTIES

• Acid pKa: 12.044975
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0205269
• LogD (pH = 7.4): 1.0219182
• Log P: 1.021945
• Molar Refractivity: 67.8255 cm^3
• Polarizability: 27.337507 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false