Cas no 21834-98-0 (3,5-dimethyl-1,2-cyclopentanedione)
21834-98-0 structure
Product Name:3,5-dimethyl-1,2-cyclopentanedione
3,5-dimethyl-1,2-cyclopentanedione Chemical and Physical Properties
Names and Identifiers
-
- 3,5-dimethyl-1,2-cyclopentanedione
- 2-Cyclopenten-1-one, 2-hydroxy-3,5-dimethyl-
- 2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one
- SCHEMBL443100
- FEMA 3269
- EINECS 244-603-9
- 2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one #
- 2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one
- 3,5-dimethylcyclopent-2-en-2-olone
- NS00050761
- 21834-98-0
- DTXSID50944440
-
- Inchi： 1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4,9H,3H2,1-2H3
- InChI Key： RLEJFFGSMZQXJX-UHFFFAOYSA-N
- SMILES： OC1C(C(C)CC=1C)=O
Computed Properties
- Exact Mass: 126.0681
- Monoisotopic Mass: 126.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 179
- 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
- Surface Charge: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: Not available
- Density: 1.0579 (rough estimate)
- Melting Point: 87-95?°C(lit.)
- Boiling Point: 194.28°C (rough estimate)
- Refractive Index: 1.4690 (estimate)
- PSA: 37.3
- Solubility: Not available
3,5-dimethyl-1,2-cyclopentanedione Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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