(3E)-4-[(1S,2R)-2-(2-Oxopropyl)cyclopentyl]-3-buten-2-one
[CAS# 765288-13-9]

Identification

• Name: (3E)-4-[(1S,2R)-2-(2-Oxopropyl)cyclopentyl]-3-buten-2-one
• Synonyms: (E)-4-((1S,2R)-2-(2-oxopropyl)cyclopentyl)but-3-en-2-one
• Molecular Formula: C₁₂H₁₈O₂
• Molecular Weight: 194.27
• CAS Registry Number: 765288-13-9
• SMILES: CC(=O)C[C@H]1CCC[C@@H]1/C=C/C(=O)C
• InChI: 1S/C12H18O2/c1-9(13)6-7-11-4-3-5-12(11)8-10(2)14/h6-7,11-12H,3-5,8H2,1-2H3/b7-6+/t11-,12-/m1/s1
• InChIKey: XSHDQXSMCGJEKN-BYAJROORSA-N

Properties

• Density: 1.026g/cm³ (Cal.)
• Boiling point: 306.573°C at 760 mmHg (Cal.)
• Flash point: 114.614°C (Cal.)
• Refractive index: 1.519 (Cal.)