Cas no 59291-72-4 (4-Isoxazolecarboxylicacid,3-phenyl-,ethylester(7CI,9CI))
59291-72-4 structure
Product Name:4-Isoxazolecarboxylicacid,3-phenyl-,ethylester(7CI,9CI)
CAS No:59291-72-4
MF:C12H11NO3
MW:217.220643281937
CID:949939
PubChem ID:871048
Update Time:2025-04-19
4-Isoxazolecarboxylicacid,3-phenyl-,ethylester(7CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid,3-phenyl-,ethylester(7CI,9CI)
- 3-phenyl-4-Isoxazolecarboxylic acid ethyl ester
- ethyl 3-phenyl-isoxazole-4-carboxylate
- AB00087540-01
- SCHEMBL11396935
- 59291-72-4
- Ethyl 3-phenyl-1,2-oxazole-4-carboxylate
- ethyl 3-phenylisoxazole-4-carboxylate
- DB-072621
-
- Inchi： 1S/C12H11NO3/c1-2-15-12(14)10-8-16-13-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
- InChI Key： ONYVEPHLOUEYQX-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CON=C1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 217.07389321g/mol
- Monoisotopic Mass: 217.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 238
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 52.3?2
4-Isoxazolecarboxylicacid,3-phenyl-,ethylester(7CI,9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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