N'-(methoxycarbonyl)methoxycarbohydrazide

• ChemBase ID: 85183
• Molecular Formular: C4H8N2O4
• Molecular Mass: 148.11732
• Monoisotopic Mass: 148.04840675
• SMILES: N(C(=O)OC)NC(=O)OC
• Canonical SMILES: COC(=O)NNC(=O)OC
• InChI: InChI=1S/C4H8N2O4/c1-9-3(7)5-6-4(8)10-2/h1-2H3,(H,5,7)(H,6,8)
• InChIKey: BPJLPBVJCYVEAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(methoxycarbonyl)methoxycarbohydrazide
• IUPAC Traditional name: N'-(methoxycarbonyl)methoxycarbohydrazide
• Synonyms: Dimethyl hydrazine-1,2-dicarboxylate

Database IDs

• CAS Number: 17643-54-8
• MDL Number: MFCD00216943
• PubChem SID: 162072299
• PubChem CID: 265934

CALCULATED PROPERTIES

• Acid pKa: 10.38713
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.38115942
• LogD (pH = 7.4): -0.38147342
• Log P: -0.38115543
• Molar Refractivity: 30.579 cm^3
• Polarizability: 12.17469 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic