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25975-59-1

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Basic Information
CAS No.: 25975-59-1
Name: 5-ANDROSTENEDIOL
Article Data: 7
Molecular Structure:
Molecular Structure of 25975-59-1 (5-ANDROSTENEDIOL)
Formula: C18H28O2
Molecular Weight: 276.419
Synonyms: Estr-5-ene-3b,17b-diol(6CI,7CI,8CI);19-Nor-5-androstene-3b,17b-diol;19-Nor-5-androstenediol;D5-Estrene-3b,17b-diol;
Density: 1.14 g/cm3
Melting Point: 152-157 °C(Solv: ethanol, 95% (64-17-5))
Boiling Point: 429.2 °C at 760 mmHg
Flash Point: 198.3 °C
PSA: 34.14000
LogP: 4.08740
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Specification

The CAS registry number of Estr-5-ene-3,17-diol,(3b,17b)- is 25975-59-1. This chemical is also named as 19-Nor-5-androstenediol. In addition, its molecular formula is C18H28O2 and molecular weight is 276.4137. Its systematic name is called estr-5-ene-3,17-diol.

Physical properties about Estr-5-ene-3,17-diol,(3b,17b)- are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 261.05; (6)ACD/BCF (pH 7.4): 261.05; (7)ACD/KOC (pH 5.5): 1868.53; (8)ACD/KOC (pH 7.4): 1868.53; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 79.84 cm3; (14)Molar Volume: 241.9 cm3; (15)Surface Tension: 47.4 dyne/cm; (16)Density: 1.14 g/cm3; (17)Flash Point: 198.3 °C; (18)Enthalpy of Vaporization: 79.03 kJ/mol; (19)Boiling Point: 429.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC3C\C4=C\C[C@@H]1[C@H](CC[C@]2(C)C(O)CC[C@@H]12)[C@H]4CC3
(2)InChI: InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12?,13-,14+,15+,16-,17?,18-/m0/s1
(3)InChIKey: VVUQRXPUVKXAIO-KPTXJRLABL