2-hydroxycyclopentane-1-carboxylic acid

• ChemBase ID: 278741
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: C1(C(=O)O)C(O)CCC1
• Canonical SMILES: OC1CCCC1C(=O)O
• InChI: InChI=1S/C6H10O3/c7-5-3-1-2-4(5)6(8)9/h4-5,7H,1-3H2,(H,8,9)
• InChIKey: VCHGSWURBGPKQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxycyclopentane-1-carboxylic acid
• IUPAC Traditional name: 2-hydroxycyclopentane-1-carboxylic acid
• Synonyms: 2-hydroxycyclopentane-1-carboxylic acid

Database IDs

• MDL Number: MFCD17270607
• PubChem SID: 164334651
• PubChem CID: 552195

CALCULATED PROPERTIES

• Acid pKa: 4.350866
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9623155
• LogD (pH = 7.4): -2.710607
• Log P: 0.21477677
• Molar Refractivity: 30.7604 cm^3
• Polarizability: 12.270841 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.104

Product Information

• Purity: 95%