Chemical Properties of Isoquinoline, 2-oxide (CAS 1532-72-5)

InChI

InChI=1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChI Key

RZIAABRFQASVSW-UHFFFAOYSA-N

Formula

C9H7NO

SMILES

[O-][n+]1ccc2ccccc2c1

Molecular Weight¹

145.16

CAS

1532-72-5

Other Names

• Isoquinoline oxide
• Isoquinoline N-oxide
• isoquinolin-N-oxide

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[7.90; 7.98]	eV
IE	7.90	eV	NIST
IE	7.98 ± 0.05	eV	NIST
log10WS	-4.80		Crippen Calculated Property
logPoct/wat	1.473		Crippen Calculated Property
McVol	110.300	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to Isoquinoline, 2-oxide.

Sources

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

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