Androst-5-ene-3,17-dione

Superiority:

The CAS register number of Androst-5-ene-3,17-dione is 571-36-8. It also can be called as 5-Androsten-3,17-dione and the systematic name about this chemical is androst-5-ene-3,17-dione. The molecular formula about this chemical is C₁₉H₂₆O₂ and the molecular weight is 286.4085. This chemical can be used in biochemistry.

Physical properties about Androst-5-ene-3,17-dione are: (1)ACD/LogP: 3.01; (2)ACD/LogD (pH 5.5): 3.01; (3)ACD/LogD (pH 7.4): 3.01; (4)ACD/BCF (pH 5.5): 113.59; (5)ACD/BCF (pH 7.4): 113.59; (6)ACD/KOC (pH 5.5): 1029.98; (7)ACD/KOC (pH 7.4): 1029.98; (8)#H bond acceptors: 2; (9)Polar Surface Area: 34.14Ų; (10)Index of Refraction: 1.551; (11)Molar Refractivity: 81.71 cm³; (12)Molar Volume: 255.8 cm³; (13)Polarizability: 32.39x10^-24cm³; (14)Surface Tension: 42.6 dyne/cm; (15)Enthalpy of Vaporization: 67.81 kJ/mol; (16)Boiling Point: 423.7 °C at 760 mmHg; (17)Vapour Pressure: 2.19E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4C/C3=C/C[C@@H]2[C@H](CC[C@@]1(C(=O)CC[C@H]12)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
(3)InChIKey: SQGZFRITSMYKRH-QAGGRKNEBS
(4)Std. InChI: InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
(5)Std. InChIKey: SQGZFRITSMYKRH-QAGGRKNESA-N