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Name |
Azuleno[4,5,6-cd]phenalene(9CI) |
EINECS | N/A |
CAS No. | 64036-33-5 | Density | 1.286 g/cm3 |
PSA | 0.00000 | LogP | 5.68880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H12 | Boiling Point | 467.5 °C at 760 mmHg |
Molecular Weight | 252.315 | Flash Point | 228.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Azuleno(4,5,6-cd)phenalene |
This product is an organic compound with the formula C20H12. The IUPAC name of this chemical is Azuleno(4,5,6-cd)phenalene(9CI). With the CAS registry number 64036-33-5, it is also named as Azuleno(4,5,6-cd)phenalene. In addition, the molecular weight is 252.3093.
Physical properties about the Azuleno[4,5,6-cd]phenalene(9CI) are: (1) ACD/LogP: 6.40; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 6.4; (4) ACD/LogD (pH 7.4): 6.4; (5) ACD/BCF (pH 5.5): 43177; (6) ACD/BCF (pH 7.4): 43177; (7) ACD/KOC (pH 5.5): 72359.67; (8) ACD/KOC (pH 7.4): 72359.67; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.887; (14) Molar Refractivity: 90.3 cm3; (15) Molar Volume: 196 cm3; (16) Polarizability: 35.8×10-24 cm3; (17) Surface Tension: 63.4 dyne/cm; (18) Density: 1.286 g/cm3; (19) Flash Point: 228.6 °C; (20) Enthalpy of Vaporization: 70.16 kJ/mol; (21) Boiling Point: 467.5 °C at 760 mmHg; (22) Vapour Pressure: 1.81E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c4c1ccc5cccc5c2c1c3c(cc2)cccc3c4
(2) InChI: InChI=1/C20H12/c1-4-14-9-10-16-8-7-13-3-2-6-17(13)18-12-11-15(5-1)19(14)20(16)18/h1-12H
(3) InChIKey: OWTKZLSJEJLURT-UHFFFAOYAP