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Home >> Chemical Listing >> Page 2106 >> 4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one

4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
[CAS# 64180-12-7]

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Identification
Name 4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
Synonyms RAC 7-HYDROXY ACENOCOUMAROL
Molecular Structure CAS#: 64180-12-7, 4,7-Dihydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
Molecular Formula C19H15NO7
Molecular Weight 369.32
CAS Registry Number 64180-12-7
SMILES CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(c3ccc(cc3oc2=O)O)O
InChI 1S/C19H15NO7/c1-10(21)8-15(11-2-4-12(5-3-11)20(25)26)17-18(23)14-7-6-13(22)9-16(14)27-19(17)24/h2-7,9,15,22-23H,8H2,1H3
InChIKey JTCREUDLEYTCAB-UHFFFAOYSA-N
Properties
Density 1.501g/cm3 (Cal.)
Boiling point 650.31°C at 760 mmHg (Cal.)
Flash point 347.095°C (Cal.)
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