Cas no 134540-97-9 (5-Tert-butyl-3-ethyl-1,2-oxazole-4-carboxylate)
134540-97-9 structure
Product Name:5-Tert-butyl-3-ethyl-1,2-oxazole-4-carboxylate
CAS No:134540-97-9
MF:C10H14NO3
MW:196.223062992096
CID:2771063
PubChem ID:20848762
Update Time:2025-04-21
5-Tert-butyl-3-ethyl-1,2-oxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 5-tert-butyl-3-ethyl-1,2-oxazole-4-carboxylate
- 134540-97-9
- DTXSID40610046
- ETHYL-5-TERT-BUTYL-ISOXAZOLE-4-CARBOXYLATE
- 5-Tert-butyl-3-ethyl-1,2-oxazole-4-carboxylate
-
- Inchi： 1S/C10H15NO3/c1-5-6-7(9(12)13)8(14-11-6)10(2,3)4/h5H2,1-4H3,(H,12,13)/p-1
- InChI Key： SQNXTCHRNWSQCE-UHFFFAOYSA-M
- SMILES： O1C(=C(C(=O)[O-])C(CC)=N1)C(C)(C)C
Computed Properties
- Exact Mass: 196.09736831Da
- Monoisotopic Mass: 196.09736831Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 216
- 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: 3.1
- Topological Polar Surface Area: 66.2?2
5-Tert-butyl-3-ethyl-1,2-oxazole-4-carboxylate Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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