Cas no 92016-80-3 (Benzofuran, 2,5,6-trimethyl-)
Benzofuran, 2,5,6-trimethyl- structure
Product Name:Benzofuran, 2,5,6-trimethyl-
CAS No:92016-80-3
MF:C11H12O
MW:160.212383270264
CID:800317
PubChem ID:45122605
Update Time:2025-04-19
Benzofuran, 2,5,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzofuran, 2,5,6-trimethyl-
- 2,5,6-trimethyl-1-benzofuran
- SCHEMBL862531
- DTXSID20669355
- 92016-80-3
- 2,5,6-Trimethylbenzofuran
-
- Inchi： 1S/C11H12O/c1-7-4-10-6-9(3)12-11(10)5-8(7)2/h4-6H,1-3H3
- InChI Key： QCRMYXDOAGNTHW-UHFFFAOYSA-N
- SMILES： O1C(C)=CC2C=C(C)C(C)=CC1=2
Computed Properties
- Exact Mass: 160.089
- Monoisotopic Mass: 160.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 166
- 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: 13.1A^2
- XLogP3: 3.5
Benzofuran, 2,5,6-trimethyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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