Cas no 160850-63-5 (3-Isoxazolecarboxylicacid, 5-ethyl-4-methyl-, methyl ester)
160850-63-5 structure
Product Name:3-Isoxazolecarboxylicacid, 5-ethyl-4-methyl-, methyl ester
CAS No:160850-63-5
MF:C8H11NO3
MW:169.177842378616
CID:109605
PubChem ID:45099349
Update Time:2025-04-18
3-Isoxazolecarboxylicacid, 5-ethyl-4-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylicacid, 5-ethyl-4-methyl-, methyl ester
- 3-Isoxazolecarboxylicacid,5-ethyl-4-methyl-,methylester(9CI)
- Methyl 5-ethyl-4-methylisoxazole-3-carboxylate
- 160850-63-5
-
- Inchi： 1S/C8H11NO3/c1-4-6-5(2)7(9-12-6)8(10)11-3/h4H2,1-3H3
- InChI Key： JOAJKFVDJOKQDB-UHFFFAOYSA-N
- SMILES： O1C(CC)=C(C)C(C(=O)OC)=N1
Computed Properties
- Exact Mass: 169.074
- Monoisotopic Mass: 169.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 172
- 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: 52.3A^2
- XLogP3: 1.8
3-Isoxazolecarboxylicacid, 5-ethyl-4-methyl-, methyl ester Related Literature
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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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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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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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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
160850-63-5 (3-Isoxazolecarboxylicacid, 5-ethyl-4-methyl-, methyl ester) Related Products
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