Chemical Properties of 4-Methoxycoumarin (CAS 20280-81-3)

InChI

InChI=1S/C10H8O3/c1-12-9-6-10(11)13-8-5-3-2-4-7(8)9/h2-6H,1H3

InChI Key

MLCMXDYMSAZNPC-UHFFFAOYSA-N

Formula

C10H8O3

SMILES

COc1cc(=O)oc2ccccc12

Molecular Weight¹

176.17

CAS

20280-81-3

Other Names

• 2(1H)-Benzopyran-2-one, 4-methoxy
• 4-Hydroxycoumarin, methyl ether
• Coumarin, 4-methoxy-

• 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	-6.55		Crippen Calculated Property
logPoct/wat	1.802		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Inp	[1789.20; 1844.00]
Inp	1844.00		NIST
Inp	1789.20		NIST
Inp	1789.20		NIST

Similar Compounds

Find more compounds similar to 4-Methoxycoumarin.

Sources

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

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