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Search term: JRKSVYZLTBMHKL-UHFFFAOYAK
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Inherent Properties, Identifiers and References
ChemSpider ID: 191536
Empirical Formula: C14H8CuO4
Molecular Weight: 303.7569
Nominal Mass: 303 Da
Average Mass: 303.7569 Da
Monoisotopic Mass: 302.97186 Da
Systematic Name: copper; 1,2-dihydroxyanthracene-9,10-dione
SMILES: [Cu].O=C2c1ccccc1C(=O)c3c2ccc(O)c3O
InChI: InChI=1/C14H8O4.Cu/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)1​2(9)16;/h1-6,15,18H;
InChIKey: JRKSVYZLTBMHKL-UHFFFAOYAK
Std. InChI: InChI=1S/C14H8O4.Cu/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)​12(9)16;/h1-6,15,18H;
Std. InChIKey: JRKSVYZLTBMHKL-UHFFFAOYSA-N
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ACD/LogP: 4.10 # 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: 4 #H bond donors: 2
#Freely Rotating Bonds: 2 Polar Surface Area: 52.6 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 228 °C Enthalpy of Vaporization: 71.19 kJ/mol
Boiling Point: 430 °C at 760 mmHg Vapour Pressure: 5.34E-08 mmHg at 25°C