Cas no 137267-32-4 (5-Oxazolecarboxylic acid, 4-ethyl-2-methyl-, methyl ester)
137267-32-4 structure
Product Name:5-Oxazolecarboxylic acid, 4-ethyl-2-methyl-, methyl ester
CAS No:137267-32-4
MF:C8H11NO3
MW:169.177842378616
CID:1244149
PubChem ID:15093937
Update Time:2025-04-20
5-Oxazolecarboxylic acid, 4-ethyl-2-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Oxazolecarboxylic acid, 4-ethyl-2-methyl-, methyl ester
- SCHEMBL21158772
- DB-172282
- 137267-32-4
- methyl 4-ethyl-2-methyloxazole-5-carboxylate
-
- Inchi： 1S/C8H11NO3/c1-4-6-7(8(10)11-3)12-5(2)9-6/h4H2,1-3H3
- InChI Key： HFYIGKNLHUPDOB-UHFFFAOYSA-N
- SMILES： O1C(C)=NC(=C1C(=O)OC)CC
Computed Properties
- Exact Mass: 169.07393
- Monoisotopic Mass: 169.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 172
- 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: 1.8
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.33
5-Oxazolecarboxylic acid, 4-ethyl-2-methyl-, methyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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