Cas no 25586-39-4 (Benzofuran, dimethyl-)
Benzofuran, dimethyl- structure
Product Name:Benzofuran, dimethyl-
CAS No:25586-39-4
MF:C40H40O4
MW:584.743211746216
CID:271753
PubChem ID:33106
Update Time:2025-04-19
Benzofuran, dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzofuran, dimethyl-
- Dimethylbenzo[b]furan
- Dimethylbenzofuran
- 2,4-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran
- 25586-39-4
-
- Inchi： 1S/4C10H10O/c1-7-5-9-3-4-11-10(9)6-8(7)2;1-7-3-4-9-8(2)6-11-10(9)5-7;1-7-3-4-8(2)10-9(7)5-6-11-10;1-7-4-3-5-10-9(7)6-8(2)11-10/h4*3-6H,1-2H3
- InChI Key： QFHRMFHGWCUDEV-UHFFFAOYSA-N
- SMILES： O1C=CC2C(C)=CC=C(C)C1=2.O1C(C)=CC2C(C)=CC=CC1=2.O1C=C(C)C2C=CC(C)=CC1=2.O1C=CC2C=C(C)C(C)=CC1=2
Computed Properties
- Exact Mass: 146.0732
- Monoisotopic Mass: 584.29265975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 44
- Rotatable Bond Count: 0
- Complexity: 575
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 13.14
Benzofuran, dimethyl- Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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