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36083-56-4

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Basic Information
CAS No.: 36083-56-4
Name: 17-O-Acetyl Normethandrone
Molecular Structure:
Molecular Structure of 36083-56-4 (17-O-Acetyl Normethandrone)
Formula: C21H30O3
Molecular Weight: 330.4611
Synonyms: (17β)-17-Methyl-3-oxoestr-4-en-17-yl acetate;Orgasteron acetate;
Density: 1.12 g/cm3
Melting Point: 91-93°C
Boiling Point: 443.3 °C at 760 mmHg
Flash Point: 192.2 °C
PSA: 43.37000
LogP: 4.45000
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Specification

The 17-O-Acetyl Normethandrone is an organic compound with the formula C21H30O3. The systematic name of this chemical is (17β)-17-Methyl-3-oxoestr-4-en-17-yl acetate. With the CAS registry number 36083-56-4, it is also named as Orgasteron acetate. Besides, its molecular weight is 330.4611.

The physical properties of 17-O-Acetyl Normethandrone are: (1)ACD/LogP: 4.43; (2)ACD/LogD (pH 5.5): 4.43; (3)ACD/LogD (pH 7.4): 4.43; (4)ACD/BCF (pH 5.5): 1377.16; (5)ACD/BCF (pH 7.4): 1377.16; (6)ACD/KOC (pH 5.5): 6144.46; (7)ACD/KOC (pH 7.4): 6144.46; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 92.69 cm3; (13)Molar Volume: 295 cm3; (14)Polarizability: 36.74×10-24 cm3; (15)Surface Tension: 42.2 dyne/cm; (16)Density: 1.12 g/cm3; (17)Flash Point: 192.2 °C; (18)Enthalpy of Vaporization: 70.1 kJ/mol; (19)Boiling Point: 443.3 °C at 760 mmHg; (20)Vapour Pressure: 4.68E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)O[C@@]3(C)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@@H]1[C@H]4CC[C@@]23C
(2)InChI: InChI=1/C21H30O3/c1-13(22)24-21(3)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-20(19,21)2/h12,16-19H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21-/m0/s1
(3)InChIKey: PPVVBFLQFMBPFG-XUDSTZEEBD
(4)Std. InChI: InChI=1S/C21H30O3/c1-13(22)24-21(3)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-20(19,21)2/h12,16-19H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21-/m0/s1
(5)Std. InChIKey: PPVVBFLQFMBPFG-XUDSTZEESA-N