Cas no 872788-64-2 (di-isoxazol-3-yl ketone)
di-isoxazol-3-yl ketone structure
Product Name:di-isoxazol-3-yl ketone
CAS No:872788-64-2
MF:C7H4N2O3
MW:164.11826133728
CID:3039659
Update Time:2025-03-14
di-isoxazol-3-yl ketone Chemical and Physical Properties
Names and Identifiers
-
- di-isoxazol-3-yl ketone
- Di-isoxazol-3-yl-keton;
- 3-Isoxazolyl ketone (5CI)
-
- Inchi: 1S/C7H4N2O3/c10-7(5-1-3-11-8-5)6-2-4-12-9-6/h1-4H
- InChI Key: VIUVEHBUGMNDPH-UHFFFAOYSA-N
- SMILES: C(C1=NOC=C1)(C1=NOC=C1)=O
Computed Properties
- Exact Mass: 164.02200
Experimental Properties
- Density: 1.372±0.06 g/cm3(Predicted)
- Melting Point: 76 °C
- Boiling Point: 360.8±17.0 °C(Predicted)
- PSA: 69.13000
- LogP: 0.89360
- pka: -7.06±0.50(Predicted)
di-isoxazol-3-yl ketone Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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