Cas no 134540-99-1 (Methyl 5-(methoxymethyl)isoxazole-4-carboxylate)
134540-99-1 structure
Product Name:Methyl 5-(methoxymethyl)isoxazole-4-carboxylate
CAS No:134540-99-1
MF:C7H9NO4
MW:171.150662183762
CID:2192884
PubChem ID:14787242
Update Time:2025-04-21
Methyl 5-(methoxymethyl)isoxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 5-(methoxymethyl)isoxazole-4-carboxylate
- 134540-99-1
- DB-101365
- SCHEMBL265059
- XZJBLUVKJLTTRN-UHFFFAOYSA-N
-
- Inchi： 1S/C7H9NO4/c1-10-4-6-5(3-8-12-6)7(9)11-2/h3H,4H2,1-2H3
- InChI Key： XZJBLUVKJLTTRN-UHFFFAOYSA-N
- SMILES： O1C(COC)=C(C(=O)OC)C=N1
Computed Properties
- Exact Mass: 171.05315777Da
- Monoisotopic Mass: 171.05315777Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 161
- 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: -0.1
- Topological Polar Surface Area: 61.6?2
Methyl 5-(methoxymethyl)isoxazole-4-carboxylate Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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