Basic information
- Name:
Androst-4-ene-3,17-dione,6-methylene-
- Superlist Name:
- 6-Methyleneandrost-4-ene-3,7-dione
- CAS No.:
19457-55-7
- Molecular Structure:
- Formula:
- C20H26O2
- Molecular Weight:
- 298.42
- Synonyms:
- 6-Methyleneandrost-4-en-3,17-dione;
- Density:
- 1.11 g/cm3
- Boiling Point:
- 450.8 °C at 760 mmHg
- Flash Point:
- 168 °C
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Specification
The Androst-4-ene-3,17-dione,6-methylene-, with the CAS registry number 19457-55-7, is also known as 6-Methyleneandrost-4-ene-3,17-dione. This chemical's molecular formula is C20H26O2 and molecular weight is 298.4192. Its systematic name is called 6-methylideneandrost-4-ene-3,17-dione.
Physical properties of Androst-4-ene-3,17-dione,6-methylene-: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 3.07; (3)ACD/LogD (pH 7.4): 3.07; (4)ACD/BCF (pH 5.5): 126.29; (5)ACD/BCF (pH 7.4): 126.29; (6)ACD/KOC (pH 5.5): 1111.12; (7)ACD/KOC (pH 7.4): 1111.12; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.555; (10)Molar Refractivity: 85.88 cm3; (11)Molar Volume: 267.2 cm3; (12)Surface Tension: 41.7 dyne/cm; (13)Density: 1.11 g/cm3; (14)Flash Point: 168 °C; (15)Enthalpy of Vaporization: 70.98 kJ/mol; (16)Boiling Point: 450.8 °C at 760 mmHg; (17)Vapour Pressure: 2.55E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C/3C[C@@H]2[C@H](CC[C@]1(C)C(=O)CC[C@H]12)[C@@]4(C)CCC(=O)/C=C\34
(2)InChI: InChI=1/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1
(3)InChIKey: KQRGETZTRARSMA-DAELLWKTBA
