Cas no 60386-56-3 (1,2-Cyclohexanedione, 3-ethyl-)
60386-56-3 structure
Product Name:1,2-Cyclohexanedione, 3-ethyl-
CAS No:60386-56-3
MF:C8H12O2
MW:140.179682731628
CID:497866
PubChem ID:12914415
Update Time:2025-04-19
1,2-Cyclohexanedione, 3-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedione, 3-ethyl-
- 3-ethylcyclohexane-1,2-dione
-
- Inchi： 1S/C8H12O2/c1-2-6-4-3-5-7(9)8(6)10/h6H,2-5H2,1H3
- InChI Key： JZNBXVRETDUASL-UHFFFAOYSA-N
- SMILES： O=C1C(CCCC1CC)=O
Computed Properties
- Exact Mass: 140.08376
- Monoisotopic Mass: 140.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 161
- 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
- XLogP3: 0.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,2-Cyclohexanedione, 3-ethyl- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
60386-56-3 (1,2-Cyclohexanedione, 3-ethyl-) Related Products
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