Cas no 124815-04-9 (3-Methyl-4H-pyrano[3,4-d]isoxazole-4,6(7H)-dione)
![3-Methyl-4H-pyrano[3,4-d]isoxazole-4,6(7H)-dione structure](https://ossimg.kuujia.com/scimg/125000/124815-04-9x500.png)
124815-04-9 structure
Product Name:3-Methyl-4H-pyrano[3,4-d]isoxazole-4,6(7H)-dione
CAS No:124815-04-9
MF:C7H5NO4
MW:167.118901968002
CID:840202
Update Time:2023-08-02
3-Methyl-4H-pyrano[3,4-d]isoxazole-4,6(7H)-dione Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyrano[3,4-d]isoxazole-4,6(7H)-dione,3-methyl-(9CI)
- 3-Methyl-4H-pyrano[3,4-d]isoxazole-4,6(7H)-dione
-
- Inchi： 1S/C7H5NO4/c1-3-6-4(12-8-3)2-5(9)11-7(6)10/h2H2,1H3
- InChI Key： IDHKFYCHZBZJIB-UHFFFAOYSA-N
- SMILES： O1C2CC(=O)OC(C=2C(C)=N1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 240
- XLogP3: 0.1
- Topological Polar Surface Area: 69.4
3-Methyl-4H-pyrano[3,4-d]isoxazole-4,6(7H)-dione Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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