Cas no 420807-93-8 (Methyl 3-(o-tolyl)isoxazole-4-carboxylate)
420807-93-8 structure
Product Name:Methyl 3-(o-tolyl)isoxazole-4-carboxylate
CAS No:420807-93-8
MF:C12H11NO3
MW:217.220643281937
CID:927756
Update Time:2023-08-02
Methyl 3-(o-tolyl)isoxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 4-Isoxazolecarboxylicacid,3-(2-methylphenyl)-,methylester(9CI)
- methyl 3-(o-tolyl)isoxazole-4-carboxylate
- Methyl 3-(o-tolyl)isoxazole-4-carboxylate
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- Inchi： 1S/C12H11NO3/c1-8-5-3-4-6-9(8)11-10(7-16-13-11)12(14)15-2/h3-7H,1-2H3
- InChI Key： OHXKZSFXLCIDDZ-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)OC)C(C2C=CC=CC=2C)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 257
- Topological Polar Surface Area: 52.3
Methyl 3-(o-tolyl)isoxazole-4-carboxylate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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