Cas no 46005-09-8 (1,2,4-Cyclopentanetrione,3-butyl-)
46005-09-8 structure
Product Name:1,2,4-Cyclopentanetrione,3-butyl-
1,2,4-Cyclopentanetrione,3-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Cyclopentanetrione,3-butyl-
- 3-Butyl-1,2,4-cyclopentanetrione
- 3-butylcyclopentane-1,2,4-trione
- SCHEMBL14441611
- AKOS024338095
- HMFXLRRRGHKBCH-UHFFFAOYSA-N
- 46005-09-8
- DTXSID20963481
- 3-Butyl-1,2,4-cyclopentanetrione #
- 1,2,4-Cyclopentanetrione, 3-butyl-
-
- Inchi： 1S/C9H12O3/c1-2-3-4-6-7(10)5-8(11)9(6)12/h6H,2-5H2,1H3
- InChI Key： HMFXLRRRGHKBCH-UHFFFAOYSA-N
- SMILES： O=C1CC(C(C1CCCC)=O)=O
Computed Properties
- Exact Mass: 168.07866
- Monoisotopic Mass: 168.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 230
- 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
- Topological Polar Surface Area: 51.2A^2
- XLogP3: 1.5
Experimental Properties
- Density: 1.13
- Boiling Point: 293°C at 760 mmHg
- Flash Point: 122.1°C
- Refractive Index: 1.476
- PSA: 51.21
1,2,4-Cyclopentanetrione,3-butyl- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
46005-09-8 (1,2,4-Cyclopentanetrione,3-butyl-) Related Products
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