Chemical Properties of (.+/-.)-Marmesin (CAS 13710-70-8)

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

InChI Key

FWYSBEAFFPBAQU-UHFFFAOYSA-N

Formula

C14H14O4

SMILES

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

Molecular Weight¹

246.26

CAS

13710-70-8

• 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	[2341.00; 2341.00]
Inp	2341.00		NIST
Inp	2341.00		NIST

Similar Compounds

Find more compounds similar to (.+/-.)-Marmesin.

Sources

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

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