Chemical Properties of 6-Hydroxyapoatropine (CAS 131899-21-3)

InChI

InChI=1S/C17H21NO3/c1-11(12-6-4-3-5-7-12)17(20)21-14-8-13-9-16(19)15(10-14)18(13)2/h3-7,13-16,19H,1,8-10H2,2H3

InChI Key

IZVZMPYXRCTCEG-UHFFFAOYSA-N

Formula

C17H21NO3

SMILES

C=C(C(=O)OC1CC2CC(O)C(C1)N2C)c1ccccc1

Molecular Weight¹

287.35

CAS

131899-21-3

• 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	-3.00		Crippen Calculated Property
logPoct/wat	1.839		Crippen Calculated Property
McVol	223.900	ml/mol	McGowan Calculated Property
Inp	[2306.30; 2306.30]
Inp	2306.30		NIST
Inp	2306.30		NIST

Similar Compounds

Find more compounds similar to 6-Hydroxyapoatropine.

Sources

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

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