Cas no 40484-94-4 (Benzofuran, 3-ethyl-2-methyl-)
40484-94-4 structure
Product Name:Benzofuran, 3-ethyl-2-methyl-
CAS No:40484-94-4
MF:C11H12O
MW:160.212383270264
CID:925824
PubChem ID:14120659
Update Time:2025-04-19
Benzofuran, 3-ethyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzofuran, 3-ethyl-2-methyl-
- 3-Ethyl-2-methylbenzofuran
- 40484-94-4
- SCHEMBL8183283
-
- Inchi： 1S/C11H12O/c1-3-9-8(2)12-11-7-5-4-6-10(9)11/h4-7H,3H2,1-2H3
- InChI Key： QKKJAALPNYZUFU-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2C(=C1C)CC
Computed Properties
- Exact Mass: 160.088815002g/mol
- 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: 1
- Complexity: 155
- 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
Benzofuran, 3-ethyl-2-methyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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