Chemical Properties of 2H-1-Benzopyran-2-one, 5,7-dimethoxy- (CAS 487-06-9)

InChI

InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3

InChI Key

NXJCRELRQHZBQA-UHFFFAOYSA-N

Formula

C11H10O4

SMILES

COc1cc(OC)c2ccc(=O)oc2c1

Molecular Weight¹

206.19

CAS

487-06-9

Other Names

• Coumarin, 5,7-dimethoxy-
• Citraptene
• Citropten
• Citroptene
• Limetin
• Limettin
• 5,7-Dimethoxycoumarin
• 5,7-Dimethoxy-2H-chromen-2-one
• 5,7-Dimethoxy-2H-1-benzo-pyran-2-one
• 5,7-Dimethyloxy-2H-1-benzopyran-2-one
• NSC 102793
• 5,7-dimethoxy-2-benzopyrone

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-6.67		Crippen Calculated Property
logPoct/wat	1.810		Crippen Calculated Property
McVol	146.110	ml/mol	McGowan Calculated Property
Inp	[1916.00; 1992.80]
Inp	1916.00		NIST
Inp	1992.80		NIST
Inp	1916.00		NIST
Inp	1992.80		NIST
Inp	1916.00		NIST

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran-2-one, 5,7-dimethoxy-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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