Cas no 129663-15-6 (Ethyl 5-acetyl-3-phenylisoxazole-4-carboxylate)
129663-15-6 structure
Product Name:Ethyl 5-acetyl-3-phenylisoxazole-4-carboxylate
CAS No:129663-15-6
MF:C14H13NO4
MW:259.257323980331
CID:102898
PubChem ID:2746556
Update Time:2025-04-18
Ethyl 5-acetyl-3-phenylisoxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-acetyl-3-phenylisoxazole-4-carboxylate
- 4-Isoxazolecarboxylicacid, 5-acetyl-3-phenyl-, ethyl ester
- ethyl 5-acetyl-3-phenyl-1,2-oxazole-4-carboxylate
- 4-Isoxazolecarboxylic acid, 5-acetyl-3-phenyl-, ethyl ester
- 129663-15-6
- BRD-K30724784-001-01-4
- DTXSID80372616
-
- Inchi： 1S/C14H13NO4/c1-3-18-14(17)11-12(10-7-5-4-6-8-10)15-19-13(11)9(2)16/h4-8H,3H2,1-2H3
- InChI Key： YRPODVVGJWBCIW-UHFFFAOYSA-N
- SMILES： O1C(C(C)=O)=C(C(=O)OCC)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 259.08449
- Monoisotopic Mass: 259.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 338
- 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: 2.3
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- PSA: 69.4
Ethyl 5-acetyl-3-phenylisoxazole-4-carboxylate Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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