Cas no 617711-92-9 (2-Propenoicacid,2-methyl-,4-ethyltetrahydro-2-oxo-2H-pyran-4-ylester(9CI))
617711-92-9 structure
Product Name:2-Propenoicacid,2-methyl-,4-ethyltetrahydro-2-oxo-2H-pyran-4-ylester(9CI)
CAS No:617711-92-9
MF:C11H16O4
MW:212.242343902588
CID:1019655
PubChem ID:45095059
Update Time:2025-04-20
2-Propenoicacid,2-methyl-,4-ethyltetrahydro-2-oxo-2H-pyran-4-ylester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoicacid,2-methyl-,4-ethyltetrahydro-2-oxo-2H-pyran-4-ylester(9CI)
- SCHEMBL446476
- 617711-92-9
-
- Inchi： 1S/C11H16O4/c1-4-11(15-10(13)8(2)3)5-6-14-9(12)7-11/h2,4-7H2,1,3H3
- InChI Key： LEUGGFPZZFKFPA-UHFFFAOYSA-N
- SMILES： O(C(C(=C)C)=O)C1(CC)CC(=O)OCC1
Computed Properties
- Exact Mass: 212.10500
- Monoisotopic Mass: 212.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 1.59150
2-Propenoicacid,2-methyl-,4-ethyltetrahydro-2-oxo-2H-pyran-4-ylester(9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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