Cas no 91569-54-9 (4-Isoxazolecarboxylicacid, 3-ethyl-5-phenyl-)
91569-54-9 structure
Product Name:4-Isoxazolecarboxylicacid, 3-ethyl-5-phenyl-
CAS No:91569-54-9
MF:C12H11NO3
MW:217.220643281937
CID:799905
PubChem ID:20848765
Update Time:2025-04-19
4-Isoxazolecarboxylicacid, 3-ethyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 3-ethyl-5-phenyl-
- 3-ethyl-5-phenyl-1,2-oxazole-4-carboxylic acid
- 4-Isoxazolecarboxylicacid,3-ethyl-5-phenyl-(7CI)
- AKOS013476636
- 3-ethyl-5-phenylisoxazole-4-carboxylic acid
- SCHEMBL11377985
- DTXSID00610047
- 91569-54-9
-
- Inchi： 1S/C12H11NO3/c1-2-9-10(12(14)15)11(16-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)
- InChI Key： PRYKGZVEXSTAGZ-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C(C(=O)O)C(CC)=N1
Computed Properties
- Exact Mass: 217.07389321g/mol
- Monoisotopic Mass: 217.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 2.4
- Topological Polar Surface Area: 63.3?2
4-Isoxazolecarboxylicacid, 3-ethyl-5-phenyl- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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