4,6-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
[CAS# 64180-13-8]

Identification

• Name: 4,6-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
• Synonyms: rac 6-Hydroxy Acenocoumarol
• Molecular Formula: C₁₉H₁₅NO₇
• Molecular Weight: 369.32
• CAS Registry Number: 64180-13-8
• SMILES: CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(c3cc(ccc3oc2=O)O)O
• InChI: 1S/C19H15NO7/c1-10(21)8-14(11-2-4-12(5-3-11)20(25)26)17-18(23)15-9-13(22)6-7-16(15)27-19(17)24/h2-7,9,14,22-23H,8H2,1H3
• InChIKey: SUHPKJKJROTWOQ-UHFFFAOYSA-N

Properties

• Density: 1.501g/cm³ (Cal.)
• Boiling point: 660.132°C at 760 mmHg (Cal.)
• Flash point: 353.036°C (Cal.)