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Biphenyleno[1,2-b]oxirene

ChemSpider ID: 11253561
Molecular Formula: C₁₂H₆O
Monoisotopic mass: 166.04187 Da
Systematic name

Biphenyleno[1,2-b]oxirene
SMILES and InChIs

SMILES:

c1cccc4c1c2c4ccc3Oc23 Copied

Std. InChI:

InChI=1S/C12H6O/c1-2-4-8-7(3-1)9-5-6-10-12(13-10)11(8)9/h1-6H Copied

Std. InChIKey:

MDMCHZUWVHVVHQ-UHFFFAOYSA-N 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:	3.15	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	3.15	ACD/LogD (pH 7.4):	3.15
ACD/BCF (pH 5.5):	145.76	ACD/BCF (pH 7.4):	145.76
ACD/KOC (pH 5.5):	1231.26	ACD/KOC (pH 7.4):	1231.26
#H bond acceptors:	1	#H bond donors:	0
#Freely Rotating Bonds:	0	Polar Surface Area:	12.53 Å²
Index of Refraction:	1.956	Molar Refractivity:	54.566 cm³
Molar Volume:	112.521 cm³	Polarizability:	21.632 10^-24cm³
Surface Tension:	80.0479965209961 dyne/cm	Density:	1.477 g/cm³
Flash Point:	129.051 °C	Enthalpy of Vaporization:	51.603 kJ/mol
Boiling Point:	297.67 °C at 760 mmHg	Vapour Pressure:	0.0020000000949949 mmHg at 25°C

Click to predict properties on the Chemicalize site

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