Cas no 901929-01-9 (3-(4-(Benzyloxy)phenyl)isoxazole-5-carboxylic acid)
901929-01-9 structure
Product Name:3-(4-(Benzyloxy)phenyl)isoxazole-5-carboxylic acid
CAS No:901929-01-9
MF:C17H13NO4
MW:295.289424657822
CID:2122534
Update Time:2023-08-04
3-(4-(Benzyloxy)phenyl)isoxazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(4-(benzyloxy)phenyl)isoxazole-5-carboxylic acid
- IKUDKSQIJZJZSE-UHFFFAOYSA-N
- 3-(4-(Benzyloxy)phenyl)isoxazole-5-carboxylic acid
-
- Inchi： 1S/C17H13NO4/c19-17(20)16-10-15(18-22-16)13-6-8-14(9-7-13)21-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,19,20)
- InChI Key： IKUDKSQIJZJZSE-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C=CC(=CC=1)C1C=C(C(=O)O)ON=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 362
- Topological Polar Surface Area: 72.6
3-(4-(Benzyloxy)phenyl)isoxazole-5-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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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