Cas no 57662-03-0 (4,5-Dimethylbenzofuran-2-carboxylic acid)
57662-03-0 structure
Product Name:4,5-Dimethylbenzofuran-2-carboxylic acid
CAS No:57662-03-0
MF:C11H10O3
MW:190.195303440094
CID:2106762
Update Time:2023-08-03
4,5-Dimethylbenzofuran-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dimethyl-2-Benzofurancarboxylic acid
- YUABDMJDADYEFG-UHFFFAOYSA-N
- 4,5-dimethylbenzofuran-2-carboxylic acid
- 2-Benzofurancarboxylic acid, 4,5-dimethyl-
- 4,5-Dimethylbenzofuran-2-carboxylic acid
-
- Inchi： 1S/C11H10O3/c1-6-3-4-9-8(7(6)2)5-10(14-9)11(12)13/h3-5H,1-2H3,(H,12,13)
- InChI Key： YUABDMJDADYEFG-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)=CC2=C1C=CC(C)=C2C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 239
- Topological Polar Surface Area: 50.4
4,5-Dimethylbenzofuran-2-carboxylic acid Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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