Cas no 35049-76-4 (2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione)
35049-76-4 structure
Product Name:2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione
CAS No:35049-76-4
MF:C10H12O4
MW:196.199883460999
CID:2823320
PubChem ID:71359783
Update Time:2025-04-21
2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione Chemical and Physical Properties
Names and Identifiers
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- DTXSID20783621
- 2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione
- 35049-76-4
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- Inchi: 1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h5,9H,3-4H2,1-2H3
- InChI Key: ZFCWBUREONENKJ-UHFFFAOYSA-N
- SMILES: O=C(C(C)C)C1C(CC(CC1=O)=O)=O
Computed Properties
- Exact Mass: 196.07355886Da
- Monoisotopic Mass: 196.07355886Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 294
- 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: 0.8
- Topological Polar Surface Area: 68.3?2
2-(2-Methylpropanoyl)cyclohexane-1,3,5-trione Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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