Chemical Properties of 7H-Furo[3,2-g][1]benzopyran-7-one

InChI

InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H

InChI Key

ZCCUUQDIBDJBTK-UHFFFAOYSA-N

Formula

C11H6O3

SMILES

O=c1ccc2cc3ccoc3cc2o1

Molecular Weight¹

186.17

Other Names

• 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, «delta»-lactone
• 5-Benzofuranacrylic acid, 6-hydroxy-, «delta»-lactone
• 6,7-Furanocoumarin
• Furo(2',3',7,6)coumarin
• Furo(4',5',6,7)coumarin
• Furo[2',3':7,6]coumarin
• Furo[2'.3':7.6]coumarin
• Furo[4',5':6,7]coumarin
• Furocoumarin
• NSC 404562
• Psoralen
• Psoralene
• Psorline-P
• furo[3,2-g]chromen-7-one

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-236.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Aq. Solubility Prediction
logPoct/wat	2.539		Crippen Calculated Property
McVol	125.080	ml/mol	McGowan Calculated Property
Inp	[1805.00; 1847.30]
Inp	1830.00		NIST
Inp	1805.00		NIST
Inp	1847.30		NIST
Inp	1842.00		NIST
Inp	1828.00		NIST
Inp	1805.00		NIST
Tboil	642.10	K	Relay (1.0) Calculated Property
Tfus	436.65	K	Aq. Solubility Prediction

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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

Find more compounds similar to 7H-Furo[3,2-g][1]benzopyran-7-one.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.