Cas no 1427392-32-2 (6-Methoxy-1-benzofuran-4-carboxylic acid)
1427392-32-2 structure
Product Name:6-Methoxy-1-benzofuran-4-carboxylic acid
CAS No:1427392-32-2
MF:C10H8O4
MW:192.168123245239
CID:2115444
Update Time:2023-08-04
6-Methoxy-1-benzofuran-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-methoxy-4-Benzofurancarboxylic acid
- 6-Methoxy-1-benzofuran-4-carboxylic acid
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- Inchi： 1S/C10H8O4/c1-13-6-4-8(10(11)12)7-2-3-14-9(7)5-6/h2-5H,1H3,(H,11,12)
- InChI Key： HSZBKSXBZJTTPU-UHFFFAOYSA-N
- SMILES： O1C=CC2C(C(=O)O)=CC(=CC1=2)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 228
- Topological Polar Surface Area: 59.7
6-Methoxy-1-benzofuran-4-carboxylic acid Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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