CSID:14382188 | C7H6NaO2 | ChemSpider

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ChemSpider ID: 14382188
Molecular Formula: C₇H₆NaO₂
Average mass: 145.110596 Da
Monoisotopic mass: 145.026001 Da
Systematic name
SMILES and InChIs

SMILES:

[Na+].O=Cc1cc(O)ccc1 Copied

Std. InChI:

InChI=1S/C7H6O2.Na/c8-5-6-2-1-3-7(9)4-6;/h1-5,9H;/q;+1 Copied

Std. InChIKey:

WHRAMHWTLGRJHH-UHFFFAOYSA-N Copied
Cite this record
CSID:14382188, http://www.chemspider.com/Chemical-Structure.14382188.html (accessed 03:08, May 24, 2012) 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:	2	#H bond donors:	1
#Freely Rotating Bonds:	2	Polar Surface Area:	37.3 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

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