cyclopentane-1,2,3,4-tetracarboxylic acid

• ChemBase ID: 180620
• Molecular Formular: C9H10O8
• Molecular Mass: 246.1709
• Monoisotopic Mass: 246.03756728
• SMILES: C1(C(C(CC1C(=O)O)C(=O)O)C(=O)O)C(=O)O
• Canonical SMILES: OC(=O)C1CC(C(C1C(=O)O)C(=O)O)C(=O)O
• InChI: InChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
• InChIKey: WOSVXXBNNCUXMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentane-1,2,3,4-tetracarboxylic acid
• IUPAC Traditional name: cyclopentane-1,2,3,4-tetracarboxylic acid

Database IDs

• PubChem SID: 164236530
• PubChem CID: 19622

CALCULATED PROPERTIES

• H Donor: 4
• LogD (pH = 5.5): -4.7854314
• LogD (pH = 7.4): -11.048257
• Log P: -0.8861786
• Molar Refractivity: 47.9646 cm^3
• Polarizability: 19.198307 Å^3
• Polar Surface Area: 149.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 3.2047057
• H Acceptors: 8

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds