diammonium oxalate

• ChemBase ID: 125833
• Molecular Formular: C2H8N2O4
• Molecular Mass: 124.09592
• Monoisotopic Mass: 124.04840675
• SMILES: [O-]C(=O)C(=O)[O-].[NH4+].[NH4+]
• Canonical SMILES: [O-]C(=O)C(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3
• InChIKey: VBIXEXWLHSRNKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium oxalate
• IUPAC Traditional name: diammonium oxalate
• Synonyms: Diammonium oxalate; Ammonium oxalate

Database IDs

• CAS Number: 1113-38-8
• MDL Number: MFCD00013308
• PubChem SID: 162220178
• PubChem CID: 14213; 13531065
• Chemspider ID: 13577
• Wikipedia Title: Ammonium_oxalate

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White solid

Product Information

• Purity: 95+%