Cas no 96998-54-8 (4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl-)
96998-54-8 structure
Product Name:4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl-
CAS No:96998-54-8
MF:C8H12O2
MW:140.179682731628
CID:751221
Update Time:2023-08-03
4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl-
- 2-ethyl-6-methyl-2,3-dihydropyran-4-one
- 2-Ethyl-6-methyl-2H-pyran-4(3H)-one
-
- Inchi： 1S/C8H12O2/c1-3-8-5-7(9)4-6(2)10-8/h4,8H,3,5H2,1-2H3
- InChI Key： KLZXRAVGUVHREK-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(CC1CC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 170
- Topological Polar Surface Area: 26.3
4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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