Cas no 21417-72-1 (Benzofuran,2,3,7-trimethyl-)
Benzofuran,2,3,7-trimethyl- structure
Product Name:Benzofuran,2,3,7-trimethyl-
CAS No:21417-72-1
MF:C11H12O
MW:160.212383270264
CID:275910
PubChem ID:179363
Update Time:2025-04-19
Benzofuran,2,3,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzofuran,2,3,7-trimethyl-
- 2,3,7-Trimethyl-1-benzofuran
- SCHEMBL15046889
- Benzofuran, 2,3,7-trimethyl-
- DTXSID40943982
- 21417-72-1
- InChI=1/C11H12O/c1-7-5-4-6-10-8(2)9(3)12-11(7)10/h4-6H,1-3H
-
- Inchi： 1S/C11H12O/c1-7-5-4-6-10-8(2)9(3)12-11(7)10/h4-6H,1-3H3
- InChI Key： XXDIHDIHRSHLGY-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C)C2C=CC=C(C)C1=2
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
- XLogP3: 3.5
- Topological Polar Surface Area: 13.1?2
Experimental Properties
- Density: 1.032
- Boiling Point: 251.1°Cat760mmHg
- Flash Point: 106.1°C
- Refractive Index: 1.569
- PSA: 13.14
Benzofuran,2,3,7-trimethyl- 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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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