(1R,2S)-2-[2-(3-Nitrophenyl)-2-oxoethyl]cyclopentanecarboxylic acid
[CAS# 733740-77-7]

Identification

• Name: (1R,2S)-2-[2-(3-Nitrophenyl)-2-oxoethyl]cyclopentanecarboxylic acid
• Synonyms: trans-2-[2-oxo-2-(3-nitrophenyl)ethyl]cyclopentane-1-carboxylic acid
• Molecular Formula: C₁₄H₁₅NO₅
• Molecular Weight: 277.27
• CAS Registry Number: 733740-77-7
• SMILES: O=C(O)[C@@H]2CCC[C@H]2CC(=O)c1cccc(c1)[N+]([O-])=O
• InChI: 1S/C14H15NO5/c16-13(8-9-3-2-6-12(9)14(17)18)10-4-1-5-11(7-10)15(19)20/h1,4-5,7,9,12H,2-3,6,8H2,(H,17,18)/t9-,12+/m0/s1
• InChIKey: DYHTYNIMADNXII-JOYOIKCWSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 445.601°C at 760 mmHg (Cal.)
• Flash point: 186.033°C (Cal.)
• Refractive index: 1.581 (Cal.)