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3H-Cyclopenta[a]naphthalen-3-yllithium

ChemSpider ID: 10759899
Molecular Formula: C₁₃H₉Li
Monoisotopic mass: 172.086426 Da
Systematic name

3H-Cyclopenta[a]naphthalen-3-yllithium
SMILES and InChIs

SMILES:

[Li]C3\C=C/c2c3ccc1ccccc12 Copied

Std. InChI:

InChI=1S/C13H9.Li/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;/h1-9H; Copied

Std. InChIKey:

XAHGNILNSHRTCW-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:		# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	0	#H bond donors:	0
#Freely Rotating Bonds:	1	Polar Surface Area:	0 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

Click to predict properties on the Chemicalize site

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