Cas no 61183-12-8 (4-Oxazolecarboxylic acid, 2-acetyl-5-methyl-, methyl ester)
61183-12-8 structure
Product Name:4-Oxazolecarboxylic acid, 2-acetyl-5-methyl-, methyl ester
CAS No:61183-12-8
MF:C8H9NO4
MW:183.161362409592
CID:489472
PubChem ID:71398561
Update Time:2025-04-19
4-Oxazolecarboxylic acid, 2-acetyl-5-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylic acid, 2-acetyl-5-methyl-, methyl ester
- methyl 2-acetyl-5-methyl-1,3-oxazole-4-carboxylate
- Methyl 2-acetyl-5-methyloxazole-4-carboxylate
- 61183-12-8
- DTXSID20819979
- SCHEMBL21639431
-
- Inchi： 1S/C8H9NO4/c1-4(10)7-9-6(5(2)13-7)8(11)12-3/h1-3H3
- InChI Key： RQILJXQNLUWVAK-UHFFFAOYSA-N
- SMILES： O1C(C(C)=O)=NC(C(=O)OC)=C1C
Computed Properties
- Exact Mass: 183.05317
- Monoisotopic Mass: 183.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 228
- 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: 0.9
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- PSA: 69.4
4-Oxazolecarboxylic acid, 2-acetyl-5-methyl-, methyl ester Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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