China (Mainland)
Androstan-3-one CAS NO.118371-41-8
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Keywords
- Androstan-3-one
- Androstan-3-one
- Androstan-3-one
Quick Details
- ProName: Androstan-3-one
- CasNo: 118371-41-8
- Application: The cas register number of Androstan-3...
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- Purity: 99
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Superiority
The cas register number of Androstan-3-one is . It also can be called as Dodecahydro-10,13-dimethyl-2H-cyclopenta[a]phenanthren-3(4H,9H,14H)-one and the Systematic name about this chemical is androstan-3-one.
Physical properties about Androstan-3-one are: (1)ACD/LogP: 5.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.8; (4)ACD/LogD (pH 7.4): 5.8; (5)ACD/BCF (pH 5.5): 14963.33; (6)ACD/BCF (pH 7.4): 14963.33; (7)ACD/KOC (pH 5.5): 33890.13; (8)ACD/KOC (pH 7.4): 33890.13; (9)#H bond acceptors: 1; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 81.9 cm3; (13)Molar Volume: 270.6 cm3; (14)Polarizability: 32.46x10-24cm3; (15)Surface Tension: 35.9 dyne/cm; (16)Enthalpy of Vaporization: 61.51 kJ/mol; (17)Boiling Point: 368.5 °C at 760 mmHg; (18)Vapour Pressure: 1.27E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3CC4CC[C@@H]2[C@H](CC[C@]1(C)CCC[C@H]12)[C@@]4(C)CC3
(2)InChI: InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13 ,15-,16-,17-,18-,19-/m0/s1
(3)InChIKey: VMNRNUNYBVFVQI-OJEXMJBDBW
(4)Std. InChI: InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13 ,15-,16-,17-,18-,19-/m0/s1
(5)Std. InChIKey: VMNRNUNYBVFVQI-OJEXMJBDSA-N
Details
The cas register number of Androstan-3-one is . It also can be called as Dodecahydro-10,13-dimethyl-2H-cyclopenta[a]phenanthren-3(4H,9H,14H)-one and the Systematic name about this chemical is androstan-3-one.
Physical properties about Androstan-3-one are: (1)ACD/LogP: 5.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.8; (4)ACD/LogD (pH 7.4): 5.8; (5)ACD/BCF (pH 5.5): 14963.33; (6)ACD/BCF (pH 7.4): 14963.33; (7)ACD/KOC (pH 5.5): 33890.13; (8)ACD/KOC (pH 7.4): 33890.13; (9)#H bond acceptors: 1; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 81.9 cm3; (13)Molar Volume: 270.6 cm3; (14)Polarizability: 32.46x10-24cm3; (15)Surface Tension: 35.9 dyne/cm; (16)Enthalpy of Vaporization: 61.51 kJ/mol; (17)Boiling Point: 368.5 °C at 760 mmHg; (18)Vapour Pressure: 1.27E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3CC4CC[C@@H]2[C@H](CC[C@]1(C)CCC[C@H]12)[C@@]4(C)CC3
(2)InChI: InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13 ,15-,16-,17-,18-,19-/m0/s1
(3)InChIKey: VMNRNUNYBVFVQI-OJEXMJBDBW
(4)Std. InChI: InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13 ,15-,16-,17-,18-,19-/m0/s1
(5)Std. InChIKey: VMNRNUNYBVFVQI-OJEXMJBDSA-N