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10a-Androst-4-en-3-one (8CI) (23124-52-9)

Identification
Name:10a-Androst-4-en-3-one (8CI)
Synonyms:1,7,8,10,11,12,13,15,16,17-decahydro-10,13-dimethyl-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one
CAS:23124-52-9
Molecular Formula: C19H28 O
Molecular Weight: 272.42
InChI: InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19+/m0/s1
Molecular Structure: (C19H28O) 1,7,8,10,11,12,13,15,16,17-decahydro-10,13-dimethyl-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one
Properties
Density:1.05
Refractive index:1.542
Specification:

The (10a)-Androst-4-en-3-one with the cas number 23124-52-9 is also called (10alpha)-Androst-4-en-3-one. The systematic name is androst-4-en-3-one, (10alpha)-. Its molecular formula is C19H28O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.52; (4)ACD/LogD (pH 7.4): 5.52; (5)ACD/BCF (pH 5.5): 9232.75; (6)ACD/BCF (pH 7.4): 9232.75; (7)ACD/KOC (pH 5.5): 23986.86; (8)ACD/KOC (pH 7.4): 23986.86; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 81.6 cm3; (15)Molar Volume: 258.9 cm3; (16)Polarizability: 32.34×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Enthalpy of Vaporization: 64.01 kJ/mol; (19)Vapour Pressure: 2.61×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@]12CCC[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4([C@H]3CC2)C
(2)InChI: InChI=1/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19+/m0/s1
(3)InChIKey: MSEZLHAVPJYYIQ-VPAKFMSCBL

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