Cas no 99758-53-9 (1-Propanone, 1-[2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitrophenyl]-)
![1-Propanone, 1-[2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitrophenyl]- structure](https://ossimg.kuujia.com/scimg/100000/99758-53-9x500.png)
99758-53-9 structure
Product Name:1-Propanone, 1-[2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitrophenyl]-
CAS No:99758-53-9
MF:C15H20N2O5
MW:308.329704284668
CID:750101
PubChem ID:71332161
Update Time:2025-04-19
1-Propanone, 1-[2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitrophenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 1-[2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitrophenyl]-
- 1-(2-tert-butyl-4,6-dimethyl-3,5-dinitrophenyl)propan-1-one
- 99758-53-9
- DTXSID80760655
-
- Inchi： 1S/C15H20N2O5/c1-7-10(18)11-8(2)13(16(19)20)9(3)14(17(21)22)12(11)15(4,5)6/h7H2,1-6H3
- InChI Key： WZIXECDFSZQVBQ-UHFFFAOYSA-N
- SMILES： O=C(CC)C1C(C)=C(C(C)=C(C=1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 308.13722174g/mol
- Monoisotopic Mass: 308.13722174g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 460
- 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: 4.1
- Topological Polar Surface Area: 109?2
1-Propanone, 1-[2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitrophenyl]- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
99758-53-9 (1-Propanone, 1-[2-(1,1-dimethylethyl)-4,6-dimethyl-3,5-dinitrophenyl]-) Related Products
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