Cas no 54124-55-9 (2,5-Furandione, 3-pentyl-)
2,5-Furandione, 3-pentyl- structure
Product Name:2,5-Furandione, 3-pentyl-
CAS No:54124-55-9
MF:C9H12O3
MW:168.189783096313
CID:355485
PubChem ID:11182844
Update Time:2025-04-19
2,5-Furandione, 3-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Furandione, 3-pentyl-
- 3-pentylfuran-2,5-dione
- 54124-55-9
- SCHEMBL6544586
- DTXSID10457884
-
- Inchi： 1S/C9H12O3/c1-2-3-4-5-7-6-8(10)12-9(7)11/h6H,2-5H2,1H3
- InChI Key： QJDWGGQFMAZCDR-UHFFFAOYSA-N
- SMILES： O1C(C=C(C1=O)CCCCC)=O
Computed Properties
- Exact Mass: 168.07866
- Monoisotopic Mass: 168.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 228
- 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: 2.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2,5-Furandione, 3-pentyl- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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