Cas no 13209-45-5 (Estra-4,6-diene-3,17-dione)
Estra-4,6-diene-3,17-dione structure
Product Name:Estra-4,6-diene-3,17-dione
CAS No:13209-45-5
MF:C18H22O2
MW:270.366085529327
CID:213600
PubChem ID:128845
Update Time:2025-04-19
Estra-4,6-diene-3,17-dione Chemical and Physical Properties
Names and Identifiers
-
- Estra-4,6-diene-3,17-dione
- (8R,9S,10R,13S,14S)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
- 4,6-estradiene-3,17-dione
- 19-Nor-androsta-4,6-dien-3,17-dion
- 19-Norandrosta-4,6-diene-3,17-dione
- 3,17-Dioxo-19-norandrosta-4,6-dien
- 4,6-Estradien-3,17-dione
- SCHEMBL1656805
- 13209-45-5
- GKSFRYHLOMZMFQ-QXUSFIETSA-N
- DTXSID20927528
-
- Inchi： 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,4,10,13-16H,3,5-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1
- InChI Key： GKSFRYHLOMZMFQ-QXUSFIETSA-N
- SMILES： O=C1CC[C@H]2[C@@H]3C=CC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 270.16200
- Monoisotopic Mass: 270.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 542
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.15
- Boiling Point: 453.3°C at 760 mmHg
- Flash Point: 168.8°C
- Refractive Index: 1.574
- PSA: 34.14000
- LogP: 3.47330
Estra-4,6-diene-3,17-dione Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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