oxolane-2-carboxylic acid; trichlorochromium

• ChemBase ID: 107465
• Molecular Formular: C5H8Cl3CrO3
• Molecular Mass: 274.47032
• Monoisotopic Mass: 272.89440966
• SMILES: Cl[Cr](Cl)Cl.OC(=O)C1CCCO1
• Canonical SMILES: OC(=O)C1CCCO1.Cl[Cr](Cl)Cl
• InChI: InChI=1S/C5H8O3.3ClH.Cr/c6-5(7)4-2-1-3-8-4;;;;/h4H,1-3H2,(H,6,7);3*1H;/q;;;;+3/p-3
• InChIKey: WEZSRMRWOAPXGY-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane-2-carboxylic acid; trichlorochromium
• IUPAC Traditional name: (2S)-oxolane-2-carboxylic acid; chromium trichloride
• Synonyms: CHROMIUM TRICHLORIDE TETRAHYDROFURANATE

Database IDs

• PubChem SID: 162105737
• PubChem CID: 44135471

CALCULATED PROPERTIES

• Acid pKa: 3.8262095
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4565991
• LogD (pH = 7.4): -3.029863
• Log P: 0.2202865
• Molar Refractivity: 26.383398 cm^3
• Polarizability: 10.524128 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203833

MP Biomedicals Rare Chemical collection