Chemical Properties of 2H-1-Benzopyran-2-one, 3-(1,1-dimethyl-2-propenyl)-7-hydroxy-6-methoxy- (CAS 19723-23-0)

InChI

InChI=1S/C15H16O4/c1-5-15(2,3)10-6-9-7-13(18-4)11(16)8-12(9)19-14(10)17/h5-8,16H,1H2,2-4H3

InChI Key

NEUWPSXOYGGGFO-UHFFFAOYSA-N

Formula

C15H16O4

SMILES

C=CC(C)(C)c1cc2cc(OC)c(O)cc2oc1=O

Molecular Weight¹

260.29

CAS

19723-23-0

Other Names

• Coumarin, 3-(1,1-dimethylallyl)-7-hydroxy-6-methoxy-
• 3-(1,1-Dimethylallyl)scopoletin
• 3-(1',1'-Dimethylallyl)scopoletin

• 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

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Similar Compounds

Find more compounds similar to 2H-1-Benzopyran-2-one, 3-(1,1-dimethyl-2-propenyl)-7-hydroxy-6-methoxy-.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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