Cas no 827622-20-8 (1,4-Benzodioxin-2(3H)-one, 6-methyl-)
827622-20-8 structure
Product Name:1,4-Benzodioxin-2(3H)-one, 6-methyl-
CAS No:827622-20-8
MF:C9H8O3
MW:164.158022880554
CID:682857
PubChem ID:12180884
Update Time:2025-04-19
1,4-Benzodioxin-2(3H)-one, 6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzodioxin-2(3H)-one, 6-methyl-
- 6-methyl-1,4-benzodioxin-2-one
- 827622-20-8
- DTXSID80479391
-
- Inchi： 1S/C9H8O3/c1-6-2-3-7-8(4-6)11-5-9(10)12-7/h2-4H,5H2,1H3
- InChI Key： YEOHVKHEWABGIU-UHFFFAOYSA-N
- SMILES： O1CC(=O)OC2C=CC(C)=CC1=2
Computed Properties
- Exact Mass: 164.047344113g/mol
- Monoisotopic Mass: 164.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 190
- 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
- XLogP3: 1.8
- Topological Polar Surface Area: 35.5?2
1,4-Benzodioxin-2(3H)-one, 6-methyl- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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4. 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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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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