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Hydrogen peroxide - acetone (1:1)

ChemSpider ID: 14581184
Molecular Formula: C₃H₈O₃
Average mass: 92.093803 Da
Monoisotopic mass: 92.04734 Da
Systematic name

Hydrogen peroxide - acetone (1:1)
SMILES and InChIs

SMILES:

CC(C)=O.OO Copied

Std. InChI:

InChI=1S/C3H6O.H2O2/c1-3(2)4;1-2/h1-2H3;1-2H Copied

Std. InChIKey:

NNZKZWURDQPBSK-UHFFFAOYSA-N Copied
Cite this record
CSID:14581184, http://www.chemspider.com/Chemical-Structure.14581184.html (accessed 03:36, 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:	0
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:	3	#H bond donors:	2
#Freely Rotating Bonds:	1	Polar Surface Area:	57.53 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	78.4 °C	Enthalpy of Vaporization:	48.73 kJ/mol
Boiling Point:	182.4 °C at 760 mmHg	Vapour Pressure:	0.236 mmHg at 25°C

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