(R)-(+)-Nicoumalone
[CAS# 66556-77-2]

Identification

• Name: (R)-(+)-Nicoumalone
• Synonyms: 2-Hydroxy-3-[(1R)-1-(4-Nitrophenyl)-3-Oxo-Butyl]Chromen-4-One; 2-Hydroxy-3-[(1R)-1-(4-Nitrophenyl)-3-Oxobutyl]-4-Chromenone; 2-Hydroxy-3-[(1R)-3-Keto-1-(4-Nitrophenyl)Butyl]Chromone
• Molecular Formula: C₁₉H₁₅NO₆
• Molecular Weight: 353.33
• CAS Registry Number: 66556-77-2
• SMILES: [C@@H](C2=C(OC1=CC=CC=C1C2=O)O)(CC(=O)C)C3=CC=C([N+]([O-])=O)C=C3
• InChI: 1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,23H,10H2,1H3/t15-/m1/s1
• InChIKey: WWBYDEQHYAEHLT-OAHLLOKOSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 546.915°C at 760 mmHg (Cal.)
• Flash point: 284.564°C (Cal.)