cyclopentane-1,2-dicarboxylic acid

• ChemBase ID: 277997
• Molecular Formular: C7H10O4
• Molecular Mass: 158.1519
• Monoisotopic Mass: 158.0579088
• SMILES: C1(C(C(=O)O)CCC1)C(=O)O
• Canonical SMILES: OC(=O)C1CCCC1C(=O)O
• InChI: InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)
• InChIKey: ASJCSAKCMTWGAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentane-1,2-dicarboxylic acid
• IUPAC Traditional name: cyclopentane-1,2-dicarboxylic acid
• Synonyms: cyclopentane-1,2-dicarboxylic acid

Database IDs

• MDL Number: MFCD00108792
• PubChem SID: 164333907
• PubChem CID: 89554

CALCULATED PROPERTIES

• Acid pKa: 3.768248
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2246659
• LogD (pH = 7.4): -4.174739
• Log P: 0.66833234
• Molar Refractivity: 35.4848 cm^3
• Polarizability: 14.084343 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.317

Product Information

• Purity: 95%