Chemical Properties of 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)- (CAS 13849-08-6)

InChI

InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1

InChI Key

FWYSBEAFFPBAQU-GFCCVEGCSA-N

Formula

C14H14O4

SMILES

CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1

Molecular Weight¹

246.26

CAS

13849-08-6

Other Names

• 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-
• (+)-Marmesin
• Marmesin
• S-(+)-Marmesin
• 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (+)-
• Marmesin, (+)-

• 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	-7.57		Crippen Calculated Property
logPoct/wat	1.867		Crippen Calculated Property
McVol	177.520	ml/mol	McGowan Calculated Property
Inp	[2322.00; 2322.00]
Inp	2322.00		NIST
Inp	2322.00		NIST

Similar Compounds

Find more compounds similar to 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-.

Sources

• Crippen Method
• Crippen 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.