Cas no 86838-74-6 (4-Oxazolecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester)
86838-74-6 structure
Product Name:4-Oxazolecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester
CAS No:86838-74-6
MF:C9H13NO3
MW:183.204422712326
CID:660417
PubChem ID:127257294
Update Time:2025-04-19
4-Oxazolecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester
- tert-butyl 2-methyl-1,3-oxazole-4-carboxylate
- 86838-74-6
- Tert-pentyl oxazole-4-carboxylate
-
- Inchi： 1S/C9H13NO3/c1-4-9(2,3)13-8(11)7-5-12-6-10-7/h5-6H,4H2,1-3H3
- InChI Key： JBOKHJDWPXIBSR-UHFFFAOYSA-N
- SMILES： O(C(C1=COC=N1)=O)C(C)(C)CC
Computed Properties
- Exact Mass: 183.08954328g/mol
- Monoisotopic Mass: 183.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 191
- 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: 2
- Topological Polar Surface Area: 52.3?2
4-Oxazolecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
86838-74-6 (4-Oxazolecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester) Related Products
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