Chemical Properties of 3-Tropoyloxy-6-acetoxytropane

InChI

InChI=1S/C19H25NO5/c1-12(22)24-18-9-14-8-15(10-17(18)20(14)2)25-19(23)16(11-21)13-6-4-3-5-7-13/h3-7,14-18,21H,8-11H2,1-2H3/t14-,15?,16?,17+,18?/m0/s1

InChI Key

HMSYCWNYGYVPME-FEPQMPSTSA-N

Formula

C19H25NO5

SMILES

CC(=O)OC1CC2CC(OC(=O)C(CO)c3ccccc3)CC1N2C

Molecular Weight¹

347.41

• 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	-2.64		Crippen Calculated Property
logPoct/wat	1.473		Crippen Calculated Property
McVol	263.820	ml/mol	McGowan Calculated Property
Inp	[2367.00; 2367.00]
Inp	2367.00		NIST
Inp	2367.00		NIST

Similar Compounds

Find more compounds similar to 3-Tropoyloxy-6-acetoxytropane.

Sources

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

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