Cas no 98140-71-7 (1,2,3-Cyclohexanetrione, 2-oxime)
98140-71-7 structure
Product Name:1,2,3-Cyclohexanetrione, 2-oxime
CAS No:98140-71-7
MF:C6H7NO3
MW:141.124681711197
CID:1990055
PubChem ID:135404293
Update Time:2025-04-21
1,2,3-Cyclohexanetrione, 2-oxime Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Cyclohexanetrione, 2-oxime
- 2-hydroxyiminocyclohexane-1,3-dione
- 1,2,3-cyclohexanetrione 2-oxime
- 98140-71-7
- DTXSID30456834
- SCHEMBL10881563
-
- Inchi： 1S/C6H7NO3/c8-4-2-1-3-5(9)6(4)7-10/h8H,1-3H2
- InChI Key： FXBQBAMKWDAWSZ-UHFFFAOYSA-N
- SMILES： OC1=C(C(CCC1)=O)N=O
Computed Properties
- Exact Mass: 141.042593085Da
- Monoisotopic Mass: 141.042593085Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 207
- 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: 0.4
- Topological Polar Surface Area: 66.7?2
1,2,3-Cyclohexanetrione, 2-oxime Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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