Cas no 6615-01-6 (estr-4-ene-3,11,17-trione)
estr-4-ene-3,11,17-trione structure
Product Name:estr-4-ene-3,11,17-trione
CAS No:6615-01-6
MF:C18H22O3
MW:286.365485668182
CID:1704599
PubChem ID:151425
Update Time:2025-04-21
estr-4-ene-3,11,17-trione Chemical and Physical Properties
Names and Identifiers
-
- estr-4-ene-3,11,17-trione
- SCHEMBL6833918
- 6615-01-6
- DTXSID60984630
-
- Inchi： 1S/C18H22O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h8,12-14,17H,2-7,9H2,1H3/t12-,13-,14-,17+,18-/m0/s1
- InChI Key： QLNOWXZCDMQJRK-PUMWCKSCSA-N
- SMILES： O=C1C[C@]2(C)C(CC[C@H]2[C@@H]2CCC3=CC(CC[C@@H]3[C@H]21)=O)=O
Computed Properties
- Exact Mass: 286.15696
- Monoisotopic Mass: 286.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 573
- 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: 1
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
estr-4-ene-3,11,17-trione Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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