Cas no 16856-72-7 (Cyclopentanone, 2-(2-methylpropylidene)-)
16856-72-7 structure
Product Name:Cyclopentanone, 2-(2-methylpropylidene)-
Cyclopentanone, 2-(2-methylpropylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanone, 2-(2-methylpropylidene)-
- 2-(2-methylpropylidene)cyclopentan-1-one
- 16856-72-7
- DTXSID90338400
- SCHEMBL1076577
-
- Inchi： 1S/C9H14O/c1-7(2)6-8-4-3-5-9(8)10/h6-7H,3-5H2,1-2H3
- InChI Key： GSSRLAIHCZNDAA-UHFFFAOYSA-N
- SMILES： O=C1CCCC1=CC(C)C
Computed Properties
- Exact Mass: 138.10452
- Monoisotopic Mass: 138.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2
- Tautomer Count: 5
- Surface Charge: 0
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.017
- Boiling Point: 214.6 °C at 760 mmHg
- Flash Point: 82.8 °C
- PSA: 17.07
Cyclopentanone, 2-(2-methylpropylidene)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
16856-72-7 (Cyclopentanone, 2-(2-methylpropylidene)-) Related Products
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