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Inherent Properties, Identifiers and References

ChemSpider ID:	10780492
Empirical Formula:	C₂H₉NaO₅
Molecular Weight:	136.0796
Nominal Mass:	136 Da
Average Mass:	136.0796 Da
Monoisotopic Mass:	136.034768 Da

Systematic Name:

sodium acetate trihydrate

SMILES:

[Na+].O.O.O.[O-]C(C)=O

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:	5	#H bond donors:	7
#Freely Rotating Bonds:	0	Polar Surface Area:	40.13 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