Cas no 66769-48-0 (ethanone, 1-(2,3-dimethylcyclopropyl)-, (1alpha,2alpha,3beta)-(-)- (9ci))
66769-48-0 structure
Product Name:ethanone, 1-(2,3-dimethylcyclopropyl)-, (1alpha,2alpha,3beta)-(-)- (9ci)
CAS No:66769-48-0
MF:C7H12O
MW:112.169582366943
CID:964610
PubChem ID:12453029
Update Time:2025-04-19
ethanone, 1-(2,3-dimethylcyclopropyl)-, (1alpha,2alpha,3beta)-(-)- (9ci) Chemical and Physical Properties
Names and Identifiers
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- ethanone, 1-(2,3-dimethylcyclopropyl)-, (1alpha,2alpha,3beta)-(-)- (9ci)
- Ethanone,1-(2,3-dimethylcyclopropyl)-,(1alpha,2alpha,3beta)-(-)-(9ci)
- 66769-48-0
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- Inchi： 1S/C7H12O/c1-4-5(2)7(4)6(3)8/h4-5,7H,1-3H3/t4-,5-/m1/s1
- InChI Key： VVBKLHBCYMRECH-RFZPGFLSSA-N
- SMILES： O=C(C)C1[C@H](C)[C@H]1C
Computed Properties
- Exact Mass: 112.08900
- Monoisotopic Mass: 112.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 1.47740
ethanone, 1-(2,3-dimethylcyclopropyl)-, (1alpha,2alpha,3beta)-(-)- (9ci) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
66769-48-0 (ethanone, 1-(2,3-dimethylcyclopropyl)-, (1alpha,2alpha,3beta)-(-)- (9ci)) Related Products
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- 765-43-5(1-cyclopropylethan-1-one)
- 1121-37-5(Dicyclopropylketone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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