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ammonium citric acid

ChemSpider ID: 10808670
Molecular Formula: C₆H₁₂NO₇
Monoisotopic mass: 210.060822 Da
Systematic name

ammonium citric acid
SMILES and InChIs

SMILES:

[NH4+].O=C(O)CC(O)(CC(=O)O)C(O)=O Copied

Std. InChI:

InChI=1S/C6H8O7.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3/p+1 Copied

Std. InChIKey:

BWKOZPVPARTQIV-UHFFFAOYSA-O 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:	8	#H bond donors:	7
#Freely Rotating Bonds:	6	Polar Surface Area:	132.13 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	174.5 °C	Enthalpy of Vaporization:	70.74 kJ/mol
Boiling Point:	365 °C at 760 mmHg	Vapour Pressure:	8.32E-07 mmHg at 25°C

Click to predict properties on the Chemicalize site

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