Chemical Properties of 9-tigloylretronecine

InChI

InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3+/t11-,12-/m0/s1

InChI Key

VYUQPLFRNDQDHW-ZSBMJCTGSA-N

Formula

C13H19NO3

SMILES

CC=C(C)C(=O)OCC1=CCN2CCC(O)C12

Molecular Weight¹

237.29

• 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	-1.68		Crippen Calculated Property
logPoct/wat	0.871		Crippen Calculated Property
McVol	187.000	ml/mol	McGowan Calculated Property
Inp	[1842.00; 1888.00]
Inp	1845.00		NIST
Inp	1842.00		NIST
Inp	1852.00		NIST
Inp	1888.00		NIST

Similar Compounds

Find more compounds similar to 9-tigloylretronecine.

Sources

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

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