Cas no 918884-79-4 (Isoxazole, 5-(2,4-dimethylphenyl)-)
918884-79-4 structure
Product Name:Isoxazole, 5-(2,4-dimethylphenyl)-
CAS No:918884-79-4
MF:C11H11NO
MW:173.211142778397
CID:769209
PubChem ID:65240308
Update Time:2025-04-19
Isoxazole, 5-(2,4-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-(2,4-dimethylphenyl)-
- 5-(2,4-dimethylphenyl)-1,2-oxazole
- DTXSID60734859
- AKOS014574877
- 918884-79-4
- 5-(2,4-Dimethylphenyl)isoxazole
-
- Inchi： 1S/C11H11NO/c1-8-3-4-10(9(2)7-8)11-5-6-12-13-11/h3-7H,1-2H3
- InChI Key： GYARRIVVBRYPOY-UHFFFAOYSA-N
- SMILES： O1C(=CC=N1)C1C=CC(C)=CC=1C
Computed Properties
- Exact Mass: 173.084063974g/mol
- Monoisotopic Mass: 173.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 172
- 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: 2.8
- Topological Polar Surface Area: 26?2
Isoxazole, 5-(2,4-dimethylphenyl)- Related Literature
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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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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
918884-79-4 (Isoxazole, 5-(2,4-dimethylphenyl)-) Related Products
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