2-(3-methoxyphenoxy)acetohydrazide

• ChemBase ID: 27180
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: C(=O)(NN)COc1cc(OC)ccc1
• Canonical SMILES: NNC(=O)COc1cccc(c1)OC
• InChI: InChI=1S/C9H12N2O3/c1-13-7-3-2-4-8(5-7)14-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
• InChIKey: QGULAZOKPKAIRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenoxy)acetohydrazide
• IUPAC Traditional name: 2-(3-methoxyphenoxy)acetohydrazide
• Synonyms: 2-(3-Methoxyphenoxy)acetohydrazide

Database IDs

• CAS Number: 436155-36-1
• MDL Number: MFCD01001356
• PubChem SID: 160990487
• PubChem CID: 735251

CALCULATED PROPERTIES

• Acid pKa: 11.930183
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.031049933
• LogD (pH = 7.4): 0.032438736
• Log P: 0.032468285
• Molar Refractivity: 51.3753 cm^3
• Polarizability: 19.869774 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