The Benz[a]anthracene,7,12-dipropyl-, with the CAS registry number 6321-75-1, is also known as 7,12-Dipropyltetraphene. This chemical's molecular formula is C24H24 and molecular weight is 312.4474. What's more, its IUPAC name is 7,12-Dipropylbenzo[a]anthracene.
Physical properties about Benz[a]anthracene,7,12-dipropyl- are: (1) ACD/LogP: 8.96; (2) # of Rule of 5 Violations: 1; (3) #H bond acceptors: 0; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 0 Å2; (7) Index of Refraction: 1.667; (8) Molar Refractivity: 108.14 cm3; (9) Molar Volume: 290.4 cm3; (10) Polarizability: 42.87×10-24 cm3; (11) Surface Tension: 44.8 dyne/cm; (12) Density: 1.075 g/cm3; (13) Flash Point: 253.1 °C; (14) Enthalpy of Vaporization: 73.93 kJ/mol; (15) Boiling Point: 499.9 °C at 760 mmHg; (16) Vapour Pressure: 1.23E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c32c(c1ccccc1c(c2ccc4c3cccc4)CCC)CCC
(2) InChI: InChI=1/C24H24/c1-3-9-19-20-13-7-8-14-21(20)22(10-4-2)24-18-12-6-5-11-17(18)15-16-23(19)24/h5-8,11-16H,3-4,9-10H2,1-2H3
(3) InChIKey: OAMVADPEJQOJMX-UHFFFAOYAH
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