Cas no 61183-21-9 (4-Oxazolecarboxylic acid, 2-(1-hydroxyethyl)-5-methyl-, methyl ester)
61183-21-9 structure
Product Name:4-Oxazolecarboxylic acid, 2-(1-hydroxyethyl)-5-methyl-, methyl ester
CAS No:61183-21-9
MF:C8H11NO4
MW:185.177242517471
CID:489463
PubChem ID:71398557
Update Time:2025-04-19
4-Oxazolecarboxylic acid, 2-(1-hydroxyethyl)-5-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylic acid, 2-(1-hydroxyethyl)-5-methyl-, methyl ester
- methyl 2-(1-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxylate
- DTXSID80819975
- SCHEMBL21639196
- Methyl 2-(1-hydroxyethyl)-5-methyloxazole-4-carboxylate
- 61183-21-9
-
- Inchi： 1S/C8H11NO4/c1-4(10)7-9-6(5(2)13-7)8(11)12-3/h4,10H,1-3H3
- InChI Key： KXQNUNVQTQGMMJ-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(=O)OC)N=C1C(C)O
Computed Properties
- Exact Mass: 185.06883
- Monoisotopic Mass: 185.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 72.6?2
Experimental Properties
- PSA: 72.56
4-Oxazolecarboxylic acid, 2-(1-hydroxyethyl)-5-methyl-, methyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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