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

Coumafuryl

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-
  • Coumarin, 3-(«alpha»-furylacetonyl)-4-hydroxy-
  • Foumarin
  • Fumarin
  • Ratafin
  • Cumafuryl
  • Furmarin
  • 3-(«alpha»-Furyl-«beta»-acetylaethyl)-4-hydroxycumarin
  • 3-(1-Furyl-3-acetylethyl)-4-hydroxycoumarin
  • 4-(2-Furyl)-4-(4-hydroxy-3-coumarinyl)-2-butanone
  • 4-(2-Furyl)-4-(4-hydroxy-3-kumarinyl)-2-butanon
  • Kill-ko rat
  • Krumkil
  • Kumatox
  • Lurat
  • Mouse blues
  • Tomarin
  • Coumarin, 3-(«alpha»-acetonylfurfuryl)-4-hydroxy-
  • 3-[1-(2-Furanyl)-3-oxobutyl]-4-hydroxy-2H-1-benzopyran-2-one
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Physical Properties

Property Value Unit Source
ω 0.7725 Relay (1.0) Calculated Property
ΔfG° -235.78 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -516.30 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 124.33 kJ/mol Relay (1.0) Calculated Property
IE 8.06 eV Relay (1.0) Calculated Property
log10WS -3.05 Relay (1.0) Calculated Property
logPoct/wat 3.203 Crippen Calculated Property
McVol 212.760 ml/mol McGowan Calculated Property
Pc 3064.53 kPa Relay (1.0-beta) Calculated Property
Tboil 669.88 K Relay (1.0) Calculated Property
Tc 982.95 K Relay (1.0) Calculated Property
Tfus 395.26 ± 0.20 K NIST
Vc 0.770 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 33.88 kJ/mol 391.80 NIST

Similar Compounds

N-Desmethylmirtazapine. Hydroxy-N-methylcytisine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Coumafuryl.

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