Chemical Properties of 4,9-dimethoxypsoralen

4,9-dimethoxypsoralen

InChI
InChI=1S/C13H10O5/c1-15-9-6-10(14)18-12-8(9)5-7-3-4-17-11(7)13(12)16-2/h3-6H,1-2H3
InChI Key
KAWXJSCFXZDZAR-UHFFFAOYSA-N
Formula
C13H10O5
SMILES
COc1cc(=O)oc2c(OC)c3occc3cc12
Molecular Weight1
246.22
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Physical Properties

Property Value Unit Source
log10WS -3.66 Relay (1.0) Calculated Property
logPoct/wat 2.556 Crippen Calculated Property
McVol 165.000 ml/mol McGowan Calculated Property
Tfus 438.34 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

7H-Furo[3,2-g][1]benzopyran-7-one, 4,9-dimethoxy-. 4-methoxypsoralen. Methoxsalen. Phellopterin. 2H-Furo[2,3-h]-1-benzopyran-2-one, 5-methoxy-. 5,7,8-trimethoxycoumarin. 7H-furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-. 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-. Khellin. (R)-9-((3,3-Dimethyl-2-oxiranyl)methoxy)-4-methoxyfuro(3,2-g)chromen-7-one. (R)-9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one. 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3-methyl-2-butenyl)oxy]-. Heraclenin. heraclenol. 4-Methoxycoumarin.

Find more compounds similar to 4,9-dimethoxypsoralen.

Sources

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