Chemical Properties of Coumafuryl (CAS 117-52-2)

Coumafuryl

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InChI
InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3
InChI Key
JFIXKFSJCQNGEK-UHFFFAOYSA-N
Formula
C17H14O5
SMILES
CC(=O)CC(c1ccco1)c1c(O)c2ccccc2oc1=O
Molecular Weight1
298.29
CAS
117-52-2
Other Names
  • 2H-1-Benzopyran-2-one, 3-[1-(2-furanyl)-3-oxobutyl]-4-hydroxy-
  • 3-(1-Furyl-3-acetylethyl)-4-hydroxycoumarin
  • 3-(«alpha»-Furyl-«beta»-acetylaethyl)-4-hydroxycumarin
  • 3-[1-(2-Furanyl)-3-oxobutyl]-4-hydroxy-2H-1-benzopyran-2-one
  • 4-(2-Furyl)-4-(4-hydroxy-3-coumarinyl)-2-butanone
  • 4-(2-Furyl)-4-(4-hydroxy-3-kumarinyl)-2-butanon
  • Coumarin, 3-(«alpha»-acetonylfurfuryl)-4-hydroxy-
  • Coumarin, 3-(«alpha»-furylacetonyl)-4-hydroxy-
  • Cumafuryl
  • Foumarin
  • Fumarin
  • Furmarin
  • Kill-ko rat
  • Krumkil
  • Kumatox
  • Lurat
  • Mouse blues
  • Ratafin
  • Tomarin
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 3.20 Crippen Calculated Property
Tfus 395.26 ± 0.20 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 33.88 kJ/mol 391.8 NIST

Similar Compounds

3-(Alpha-acetonylbenzyl)-4-hydroxycoumarin. 2H-1-Benzopyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-. Warfarin methylated. Acenocoumarol. WARFARIN, O-TRIMETHYLSILYL-. Phenprocoumon. Warfarin, tert-butyldimethylsilyl ether. 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-. Warfarin, pentafluoropropionate. Warfarin, heptafluorobutyrate. 2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 3,4-dihydro-2-methoxy-2-methyl-4-phenyl-. Aflatoxin G2. Aflatoxin G1. Nalmefene, bis(trifluoroacetate). Naloxone, bis(trimethylsilyl) ether.

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