Cas no 63689-62-3 (2,6-DIKETO-21-CROWN-7)
2,6-DIKETO-21-CROWN-7 structure
Product Name:2,6-DIKETO-21-CROWN-7
CAS No:63689-62-3
MF:C8H12O5S
MW:220.242881774902
CID:960691
PubChem ID:12379761
Update Time:2025-04-19
2,6-DIKETO-21-CROWN-7 Chemical and Physical Properties
Names and Identifiers
-
- 2,6-DIKETO-21-CROWN-7
- 2,6-DIKETO-4-THIA-12-CROWN-4
- 63689-62-3
-
- Inchi： 1S/C8H12O5S/c9-7-5-14-6-8(10)13-4-2-11-1-3-12-7/h1-6H2
- InChI Key： SCWSPZBWBLTUHD-UHFFFAOYSA-N
- SMILES： S1CC(=O)OCCOCCOC(C1)=O
Computed Properties
- Exact Mass: 336.14200
- Monoisotopic Mass: 220.04054465g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 87.1?2
Experimental Properties
- PSA: 98.75000
- LogP: -0.83060
2,6-DIKETO-21-CROWN-7 Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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