Chemical Properties of 1,6-methano[10]annulen-11-one (CAS 36628-80-5)

InChI

InChI=1S/C11H8O/c12-11-9-5-1-2-6-10(11)8-4-3-7-9/h1-8H

InChI Key

WUJSPQKZDGCKIZ-UHFFFAOYSA-N

Formula

C11H8O

SMILES

O=c1c2ccccc1cccc2

Molecular Weight¹

156.18

CAS

36628-80-5

Other Names

• Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-11-one

• 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	[8.00; 8.47]	eV
IE	8.00	eV	NIST
IE	8.47	eV	NIST
log10WS	-2.70		Crippen Calculated Property
logPoct/wat	2.200		Crippen Calculated Property
McVol	124.200	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 1,6-methano[10]annulen-11-one.

Sources

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

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