Cas no 7137-22-6 (Benzofuran,2,3,6-trimethyl-)
Benzofuran,2,3,6-trimethyl- structure
Product Name:Benzofuran,2,3,6-trimethyl-
CAS No:7137-22-6
MF:C11H12O
MW:160.212383270264
CID:563035
PubChem ID:3014542
Update Time:2025-04-19
Benzofuran,2,3,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzofuran,2,3,6-trimethyl-
- 2,3,6-trimethyl-1-benzofuran
- 2,3,6-Trimethylbenzofuran
- 2,3,6-Trimethyl-benzo-[b]-furan
- DTXSID10221567
- SCHEMBL12489574
- Benzofuran, 2,3,6-trimethyl-
- JHWKKCNDPCOCDL-UHFFFAOYSA-N
- 7137-22-6
-
- Inchi： 1S/C11H12O/c1-7-4-5-10-8(2)9(3)12-11(10)6-7/h4-6H,1-3H3
- InChI Key： JHWKKCNDPCOCDL-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C)C2C=CC(C)=CC1=2
Computed Properties
- Exact Mass: 160.08886
- Monoisotopic Mass: 160.088815002g/mol
- 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
- XLogP3: 3.5
- Topological Polar Surface Area: 13.1?2
Experimental Properties
- PSA: 13.14
Benzofuran,2,3,6-trimethyl- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
7137-22-6 (Benzofuran,2,3,6-trimethyl-) Related Products
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