Cas no 61920-20-5 (1,3-Dioxolane, 2,4,5-trimethyl-2-(4-nitrophenyl)-)
61920-20-5 structure
Product Name:1,3-Dioxolane, 2,4,5-trimethyl-2-(4-nitrophenyl)-
CAS No:61920-20-5
MF:C12H15NO4
MW:237.251803636551
CID:463116
PubChem ID:71391181
Update Time:2025-04-19
1,3-Dioxolane, 2,4,5-trimethyl-2-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane, 2,4,5-trimethyl-2-(4-nitrophenyl)-
- 2,4,5-trimethyl-2-(4-nitrophenyl)-1,3-dioxolane
- DTXSID50813061
- 61920-20-5
-
- Inchi： 1S/C12H15NO4/c1-8-9(2)17-12(3,16-8)10-4-6-11(7-5-10)13(14)15/h4-9H,1-3H3
- InChI Key： SZAMMBYOKINCLV-UHFFFAOYSA-N
- SMILES： O1C(C)C(C)OC1(C)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 237.10015
- Monoisotopic Mass: 237.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 61.6
1,3-Dioxolane, 2,4,5-trimethyl-2-(4-nitrophenyl)- 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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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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