eth-1-ene-1,1,2,2-tetracarboxylic acid

• ChemBase ID: 127344
• Molecular Formular: C6H4O8
• Molecular Mass: 204.09116
• Monoisotopic Mass: 203.99061709
• SMILES: O=C(O)C(=C(C(=O)O)C(=O)O)C(=O)O
• Canonical SMILES: OC(=O)C(=C(C(=O)O)C(=O)O)C(=O)O
• InChI: InChI=1S/C6H4O8/c7-3(8)1(4(9)10)2(5(11)12)6(13)14/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)
• InChIKey: AIJZIRPGCQPZSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: eth-1-ene-1,1,2,2-tetracarboxylic acid
• IUPAC Traditional name: ethylenetetracarboxylic acid
• Synonyms: Ethylenetetracarboxylic acid

Database IDs

• CAS Number: 4363-44-4
• PubChem SID: 162221665
• PubChem CID: 12651152
• Chemspider ID: 11636515
• Wikipedia Title: Ethylenetetracarboxylic_acid

CALCULATED PROPERTIES

• Acid pKa: 2.297962
• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): -9.604256
• LogD (pH = 7.4): -14.296304
• Log P: -0.86642814
• Molar Refractivity: 36.7556 cm^3
• Polarizability: 14.308728 Å^3
• Polar Surface Area: 149.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true