2-[(1R,2S)-2-[(Z)-5-Hydroxypent-2-Enyl]-3-Oxocyclopentyl]Acetic Acid
[CAS# 124649-26-9]

Identification

• Name: 2-[(1R,2S)-2-[(Z)-5-Hydroxypent-2-Enyl]-3-Oxocyclopentyl]Acetic Acid
• Synonyms: 2-[(1R,2S)-2-[(Z)-5-Hydroxypent-2-Enyl]-3-Oxo-Cyclopentyl]Acetic Acid; 2-[(1R,2S)-2-[(Z)-5-Hydroxypent-2-Enyl]-3-Keto-Cyclopentyl]Acetic Acid; 2-[(1R,2S)-2-[(Z)-5-Hydroxypent-2-Enyl]-3-Oxo-Cyclopentyl]Ethanoic Acid
• Molecular Formula: C₁₂H₁₈O₄
• Molecular Weight: 226.27
• CAS Registry Number: 124649-26-9
• SMILES: [C@@H]1([C@H](CCC1=O)CC(=O)O)C\C=C/CCO
• InChI: 1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/b2-1-/t9-,10+/m1/s1
• InChIKey: RZGFUGXQKMEMOO-SZXTZRQCSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 429.546°C at 760 mmHg (Cal.)
• Flash point: 227.723°C (Cal.)

References

• (1): Hisato Nonaka, Narihito Ogawa, Noriaki Maeda, Yong-Gang Wang and Yuichi Kobayashi. Stereoselective synthesis of epi-jasmonic acid, tuberonic acid, and 12-oxo-PDA, Org. Biomol. Chem., 2010, 8, 5212.