Cas no 83988-29-8 (3-Methyl-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione)
![3-Methyl-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione structure](https://ossimg.kuujia.com/scimg/84000/83988-29-8x500.png)
83988-29-8 structure
Product Name:3-Methyl-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione
CAS No:83988-29-8
MF:C6H4N2O3
MW:152.10756111145
CID:706980
Update Time:2023-08-03
3-Methyl-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione Chemical and Physical Properties
Names and Identifiers
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- 4H-Pyrrolo[3,4-d]isoxazole-4,6(5H)-dione,3-methyl-
- 4H-Pyrrolo[3,4-d]isoxazole-4,6(5H)-dione,3-methyl-(9CI)
- 3-methyl-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione
- 3-Methyl-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione
-
- Inchi： 1S/C6H4N2O3/c1-2-3-4(11-8-2)6(10)7-5(3)9/h1H3,(H,7,9,10)
- InChI Key： CTIWCJADLZEOSM-UHFFFAOYSA-N
- SMILES： O1C2C(NC(C=2C(C)=N1)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 228
- Topological Polar Surface Area: 72.2
3-Methyl-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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