Cas no 364607-75-0 (4-Oxazolecarboxylicacid, 5-methyl-2-(1-methylethenyl)-)
364607-75-0 structure
Product Name:4-Oxazolecarboxylicacid, 5-methyl-2-(1-methylethenyl)-
CAS No:364607-75-0
MF:C8H9NO3
MW:167.161962270737
CID:297270
PubChem ID:45082625
Update Time:2025-04-19
4-Oxazolecarboxylicacid, 5-methyl-2-(1-methylethenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylicacid, 5-methyl-2-(1-methylethenyl)-
- 4-Oxazolecarboxylicacid,5-methyl-2-(1-methylethenyl)-(9CI)
- 5-methyl-2-prop-1-en-2-yl-1,3-oxazole-4-carboxylic acid
- 364607-75-0
- 5-Methyl-2-(prop-1-en-2-yl)oxazole-4-carboxylic acid
- DTXSID70665307
- 5-Methyl-2-(prop-1-en-2-yl)-1,3-oxazole-4-carboxylic acid
-
- Inchi： 1S/C8H9NO3/c1-4(2)7-9-6(8(10)11)5(3)12-7/h1H2,2-3H3,(H,10,11)
- InChI Key： MYQURFHZRMLELW-UHFFFAOYSA-N
- SMILES： O1C(C(=C)C)=NC(C(=O)O)=C1C
Computed Properties
- Exact Mass: 167.05827
- Monoisotopic Mass: 167.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 214
- 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: 63.3?2
Experimental Properties
- PSA: 63.33
4-Oxazolecarboxylicacid, 5-methyl-2-(1-methylethenyl)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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