(1R,2S)-2-[2-(2-Nitrophenyl)-2-oxoethyl]cyclopentanecarboxylic acid
[CAS# 733740-76-6]

Identification

• Name: (1R,2S)-2-[2-(2-Nitrophenyl)-2-oxoethyl]cyclopentanecarboxylic acid
• Synonyms: trans-2-[2-oxo-2-(2-nitrophenyl)ethyl]cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₄H₁₅NO₅
• Molecular Weight: 277.27
• CAS Registry Number: 733740-76-6
• SMILES: O=C(O)[C@@H]2CCC[C@H]2CC(=O)c1ccccc1[N+]([O-])=O
• InChI: 1S/C14H15NO5/c16-13(8-9-4-3-6-10(9)14(17)18)11-5-1-2-7-12(11)15(19)20/h1-2,5,7,9-10H,3-4,6,8H2,(H,17,18)/t9-,10+/m0/s1
• InChIKey: CTCGTAGEILSZFF-VHSXEESVSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 486.72°C at 760 mmHg (Cal.)
• Flash point: 204.434°C (Cal.)
• Refractive index: 1.581 (Cal.)