Cas no 244238-27-5 (4-Isoxazolecarboxylicacid, 3-ethyl-5-(1-oxo-2-propen-1-yl)-, methyl ester)
244238-27-5 structure
Product Name:4-Isoxazolecarboxylicacid, 3-ethyl-5-(1-oxo-2-propen-1-yl)-, methyl ester
CAS No:244238-27-5
MF:C10H11NO4
MW:209.198642969131
CID:245861
PubChem ID:45094939
Update Time:2025-04-19
4-Isoxazolecarboxylicacid, 3-ethyl-5-(1-oxo-2-propen-1-yl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 3-ethyl-5-(1-oxo-2-propen-1-yl)-, methyl ester
- 4-Isoxazolecarboxylicacid, 3-ethyl-5-(1-oxo-2-propenyl)-, methyl ester (9CI)
- 244238-27-5
- 4-Isoxazolecarboxylicacid,3-ethyl-5-(1-oxo-2-propenyl)-,methylester(9CI)
-
- Inchi： 1S/C10H11NO4/c1-4-6-8(10(13)14-3)9(15-11-6)7(12)5-2/h5H,2,4H2,1,3H3
- InChI Key： SCORWQJHGNLPJS-UHFFFAOYSA-N
- SMILES： O1C(C(C=C)=O)=C(C(=O)OC)C(CC)=N1
Computed Properties
- Exact Mass: 209.06900
- Monoisotopic Mass: 209.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 277
- 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
- Topological Polar Surface Area: 69.4A^2
- XLogP3: 1.7
Experimental Properties
- PSA: 69.40000
- LogP: 1.39230
4-Isoxazolecarboxylicacid, 3-ethyl-5-(1-oxo-2-propen-1-yl)-, methyl ester Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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