Cas no 179406-61-2 (Ethanone, 1-[3-(2,6-dimethylphenyl)-5-isoxazolyl]-)
![Ethanone, 1-[3-(2,6-dimethylphenyl)-5-isoxazolyl]- structure](https://ossimg.kuujia.com/scimg/179500/179406-61-2x500.png)
179406-61-2 structure
Product Name:Ethanone, 1-[3-(2,6-dimethylphenyl)-5-isoxazolyl]-
CAS No:179406-61-2
MF:C13H13NO2
MW:215.247823476791
CID:1369654
Update Time:2024-08-16
Ethanone, 1-[3-(2,6-dimethylphenyl)-5-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-[3-(2,6-dimethylphenyl)-5-isoxazolyl]-
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- Inchi： 1S/C13H13NO2/c1-8-5-4-6-9(2)13(8)11-7-12(10(3)15)16-14-11/h4-7H,1-3H3
- InChI Key： NTKRQKVNQCNIMW-UHFFFAOYSA-N
- SMILES： C(=O)(C1ON=C(C2=C(C)C=CC=C2C)C=1)C
Computed Properties
- Exact Mass: 215.09469
Experimental Properties
- Density: 1.104±0.06 g/cm3(Predicted)
- Boiling Point: 353.3±30.0 °C(Predicted)
- PSA: 43.1
- pka: -4?+-.0.50(Predicted)
Ethanone, 1-[3-(2,6-dimethylphenyl)-5-isoxazolyl]- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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