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(2-carboxyphenyl)sodium

ChemSpider ID: 14065805
Molecular Formula: C₇H₅NaO₂
Average mass: 144.103195 Da
Monoisotopic mass: 144.018723 Da
Systematic name

(2-carboxyphenyl)sodium
SMILES and InChIs

SMILES:

[Na]c1ccccc1C(=O)O Copied

Std. InChI:

InChI=1S/C7H5O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-4H,(H,8,9); Copied

Std. InChIKey:

ALSSNAPTPGNVNK-UHFFFAOYSA-N Copied
Cite this record
CSID:14065805, http://www.chemspider.com/Chemical-Structure.14065805.html (accessed 01:45, 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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