Cas no 81189-53-9 ([1,3]Dioxolo[4,5-h]-1,3-dioxolo[6,7]indeno[2,1-a][3]benzazepinium,4-methyl-)
![[1,3]Dioxolo[4,5-h]-1,3-dioxolo[6,7]indeno[2,1-a][3]benzazepinium,4-methyl- structure](https://ossimg.kuujia.com/scimg/81500/81189-53-9x500.png)
81189-53-9 structure
Product Name:[1,3]Dioxolo[4,5-h]-1,3-dioxolo[6,7]indeno[2,1-a][3]benzazepinium,4-methyl-
CAS No:81189-53-9
MF:C20H14NO4
MW:332.329465389252
CID:728978
Update Time:2025-04-19
[1,3]Dioxolo[4,5-h]-1,3-dioxolo[6,7]indeno[2,1-a][3]benzazepinium,4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,3]Dioxolo[4,5-h]-1,3-dioxolo[6,7]indeno[2,1-a][3]benzazepinium,4-methyl-
- 4-Methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[6,7]indeno[2,1-a][3]benzazepin-4-ium
-
- Inchi： 1S/C20H14NO4/c1-21-5-4-11-7-16-17(24-9-23-16)8-13(11)14-6-12-2-3-15-20(25-10-22-15)18(12)19(14)21/h2-8H,9-10H2,1H3/q+1
- InChI Key： UYUSJSLJASWNQK-UHFFFAOYSA-N
- SMILES： C[N+]1C2C(C=C3C=2C2=C(OCO2)C=C3)=C2C(C=C3C(=C2)OCO3)=CC=1
Computed Properties
- Exact Mass: 332.092
- Monoisotopic Mass: 332.092
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 530
- 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
- Topological Polar Surface Area: 40.8A^2
[1,3]Dioxolo[4,5-h]-1,3-dioxolo[6,7]indeno[2,1-a][3]benzazepinium,4-methyl- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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