Cas no 1040717-19-8 (5-(4-Chlorobenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid)
1040717-19-8 structure
Product Name:5-(4-Chlorobenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid
CAS No:1040717-19-8
MF:C13H9ClO5
MW:280.660563230515
CID:2114655
Update Time:2023-08-04
5-(4-Chlorobenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 5-(4-chlorobenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid
- STL159380
- 5-[(4-chlorobenzyl)oxy]-4-oxo-4H-pyran-2-carboxylic acid
- 5-(4-Chlorobenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid
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- Inchi： 1S/C13H9ClO5/c14-9-3-1-8(2-4-9)6-18-12-7-19-11(13(16)17)5-10(12)15/h1-5,7H,6H2,(H,16,17)
- InChI Key： XABCKWQDQCQGJS-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)COC1=COC(C(=O)O)=CC1=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 432
- Topological Polar Surface Area: 72.8
5-(4-Chlorobenzyloxy)-4-oxo-4H-pyran-2-carboxylic acid Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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