Cas no 76242-25-6 (Benzofuran,2,4,7-trimethyl-)
Benzofuran,2,4,7-trimethyl- structure
Product Name:Benzofuran,2,4,7-trimethyl-
CAS No:76242-25-6
MF:C11H12O
MW:160.212383270264
CID:561133
Update Time:2024-02-06
Benzofuran,2,4,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzofuran,2,4,7-trimethyl-
- 2,4,7-Trimethylbenzofuran
- Benzofuran, 2,4,7-trimethyl-
-
- Inchi： 1S/C11H12O/c1-7-4-5-8(2)11-10(7)6-9(3)12-11/h4-6H,1-3H3
- InChI Key： FDYSDFFZVPFRGD-UHFFFAOYSA-N
- SMILES： O1C2=C(C)C=CC(C)=C2C=C1C
Computed Properties
- Exact Mass: 160.08886
- 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
Experimental Properties
- PSA: 13.14
Benzofuran,2,4,7-trimethyl- Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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