Cas no 21984-87-2 (1-(5-methyl-3-furanyl)-Ethanone)
21984-87-2 structure
Product Name:1-(5-methyl-3-furanyl)-Ethanone
CAS No:21984-87-2
MF:C7H8O2
MW:124.137222290039
CID:1109208
PubChem ID:21702800
Update Time:2025-04-20
1-(5-methyl-3-furanyl)-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(5-methyl-3-furanyl)-Ethanone
- 5-methyl-3-acetylfuran
- SCHEMBL4486306
- 21984-87-2
- DB-219569
- 4-acetyl-2-methylfuran
-
- Inchi： 1S/C7H8O2/c1-5-3-7(4-9-5)6(2)8/h3-4H,1-2H3
- InChI Key： CNKZSNBXJQJGDW-UHFFFAOYSA-N
- SMILES： O1C=C(C(C)=O)C=C1C
Computed Properties
- Exact Mass: 124.052
- Monoisotopic Mass: 124.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 120
- 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
- Topological Polar Surface Area: 30.2A^2
- XLogP3: 1.1
1-(5-methyl-3-furanyl)-Ethanone Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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