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Basic Information
CAS No.: 16895-64-0
Name: 17a-Hydroxy-19-norpregn-4-ene-3,20-dione
Molecular Structure:
Molecular Structure of 16895-64-0 (17a-Hydroxy-19-norpregn-4-ene-3,20-dione)
Formula: C20H28O3
Molecular Weight: 316.441
Synonyms: 19-Nor-17a-pregn-4-ene-3,20-dione,17-hydroxy- (8CI);17b-Hydroxy-19-norprogesterone;17-Hydroxy-19-nor-17a-pregn-4-ene-3,20-dione;
EINECS: 218-378-2
Density: 1.17 g/cm3
Melting Point: 160 - 161 °C
Boiling Point: 484.9 °C at 760 mmHg
Flash Point: 261.2 °C
PSA: 54.37000
LogP: 3.44830
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Specification

The CAS register number of 17a-Hydroxy-19-norpregn-4-ene-3,20-dione is 16895-64-0. It also can be called as 19-Norpregn-4-ene-3,20-dione,17-hydroxy-, (17a)-(9CI) and the systematic name about this chemical is (17α)-17-acetyl-17-hydroxyestr-4-en-3-one. The molecular formula about this chemical is C20H28O3 and the molecular weight is 316.43.

Physical properties about 17a-Hydroxy-19-norpregn-4-ene-3,20-dione are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 2.41; (4)ACD/BCF (pH 5.5): 40.11; (5)ACD/BCF (pH 7.4): 40.11; (6)ACD/KOC (pH 5.5): 488.89; (7)ACD/KOC (pH 7.4): 488.89; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 43.37Å2; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 87.86 cm3; (14)Molar Volume: 270.1 cm3; (15)Polarizability: 34.83x10-24cm3; (16)Surface Tension: 47.4 dyne/cm; (17)Enthalpy of Vaporization: 86.45 kJ/mol; (18)Boiling Point: 484.9 °C at 760 mmHg; (19)Vapour Pressure: 1.95E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@@H]([C@H]1CC[C@@]3([C@@](O)(C(=O)C)CC[C@H]3[C@@H]1CC2)C)CC4
(2)InChI: InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
(3)InChIKey: GTFUITFQDGVJSK-XGXHKTLJBX
(4)Std. InChI: InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
(5)Std. InChIKey: GTFUITFQDGVJSK-XGXHKTLJSA-N