Cas no 175277-79-9 (Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate)
175277-79-9 structure
Product Name:Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate
CAS No:175277-79-9
MF:C9H11NO4
MW:197.187942743301
CID:133820
PubChem ID:2799980
Update Time:2025-04-19
Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate
- 4-Isoxazolecarboxylicacid, 5-acetyl-3-ethyl-, methyl ester
- Methyl 5-acetyl-3-ethyl-1,2-oxazole-4-carboxylate
- AC1ME3JY
- AG-E-25680
- CTK4D5822
- KB-54521
- SPB06809
- DTXSID10384126
- AKOS015908474
- 4-CYANO-4-NITRODIPHENYL
- 175277-79-9
- 4-Isoxazolecarboxylic acid, 5-acetyl-3-ethyl-, methyl ester
- FT-0628672
-
- Inchi： 1S/C9H11NO4/c1-4-6-7(9(12)13-3)8(5(2)11)14-10-6/h4H2,1-3H3
- InChI Key： AYYATAZJCFFYFO-UHFFFAOYSA-N
- SMILES： O1C(C(C)=O)=C(C(=O)OC)C(CC)=N1
Computed Properties
- Exact Mass: 197.06883
- Monoisotopic Mass: 197.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 241
- 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: 1.1
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- PSA: 69.4
Methyl 5-acetyl-3-ethylisoxazole-4-carboxylate Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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