2-methoxyacetohydrazide

• ChemBase ID: 27341
• Molecular Formular: C3H8N2O2
• Molecular Mass: 104.10782
• Monoisotopic Mass: 104.05857751
• SMILES: C(=O)(NN)COC
• Canonical SMILES: COCC(=O)NN
• InChI: InChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
• InChIKey: XEPXDMNZXBUSOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyacetohydrazide
• IUPAC Traditional name: 2-methoxyacetohydrazide
• Synonyms: 2-Methoxyacetohydrazide

Database IDs

• CAS Number: 20605-41-8
• MDL Number: MFCD02197887
• PubChem SID: 160990648
• PubChem CID: 2759532

CALCULATED PROPERTIES

• Acid pKa: 12.440859
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.503136
• LogD (pH = 7.4): -1.5009179
• Log P: -1.5008856
• Molar Refractivity: 25.4034 cm^3
• Polarizability: 9.667854 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.513

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%