Cas no 111783-83-6 (Benzofuranone)
Benzofuranone structure
Product Name:Benzofuranone
CAS No:111783-83-6
MF:C8H6O2
MW:134.13204
CID:97260
Benzofuranone Chemical and Physical Properties
Names and Identifiers
-
- Benzofuranone
-
- Inchi： InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
- InChI Key： ACZGCWSMSTYWDQ-UHFFFAOYSA-N
- SMILES： O=C1CC2=CC=CC=C2O1
Computed Properties
- Exact Mass: 134.03678
- Monoisotopic Mass: 134.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 153
- 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: 26.3A^2
Experimental Properties
- PSA: 26.3
Benzofuranone Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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