Chemical Properties of Ficusin (CAS 66-97-7)

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

186.16

CAS

66-97-7

Other Names

• 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, «delta»-lactone
• 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, «delta»-lactone
• 5-Benzofuranacrylic acid, 6-hydroxy-, «delta»-lactone
• 5-Benzofuranacrylic acid, 6-hydroxy-, «delta»-lactone
• 6,7-Furanocoumarin
• 7H-Furo[3,2-g][1]benzopyran-7-one
• 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

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.74		Aq. Sol...
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
Tfus	436.65	K	Aq. Sol...

Similar Compounds

Find more compounds similar to Ficusin.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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