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Inherent Properties, Identifiers and References

ChemSpider ID:	19988014
Empirical Formula:	C₁₄H₁₀Na₂O₂
Molecular Weight:	256.2075
Nominal Mass:	256 Da
Average Mass:	256.2075 Da
Monoisotopic Mass:	256.04762 Da

Systematic Name:

disodium 1,4-dihydroanthracene-9,10-diolate

SMILES:

[Na+].[Na+].[O-]c2c3C/C=C\Cc3c([O-])c1ccccc12

InChI:

InChIKey:

-

(Details...)

Predicted Properties

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:	2	#H bond donors:	2
#Freely Rotating Bonds:	2	Polar Surface Area:	46.12 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