Cas no 61072-57-9 (7-tert-butyl-benzofuran-2,3-dione)
61072-57-9 structure
Product Name:7-tert-butyl-benzofuran-2,3-dione
CAS No:61072-57-9
MF:C12H12O3
MW:204.221883773804
CID:3035466
PubChem ID:12294251
Update Time:2025-04-21
7-tert-butyl-benzofuran-2,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 7-tert-butyl-benzofuran-2,3-dione
- 7-(1,1-dimethylethyl)-2,3-benzofurandione;7-t-Butyl-2,3-dioxo-2,3-dihydrobenzofuran;
- DTXSID501272784
- NRSCFTBZXMVTTN-UHFFFAOYSA-N
- SCHEMBL9827158
- 7-(1,1-dimethylethyl)-2,3-benzofurandione
- 61072-57-9
-
- Inchi： 1S/C12H12O3/c1-12(2,3)8-6-4-5-7-9(13)11(14)15-10(7)8/h4-6H,1-3H3
- InChI Key： NRSCFTBZXMVTTN-UHFFFAOYSA-N
- SMILES： O1C(C(C2=CC=CC(=C12)C(C)(C)C)=O)=O
Computed Properties
- Exact Mass: 204.07900
- Monoisotopic Mass: 204.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 301
- 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: 3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37000
- LogP: 2.08580
7-tert-butyl-benzofuran-2,3-dione Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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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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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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