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23012-14-8 | 4-Oxazolecarboxylic acid, ethyl ester
CAS No: 23012-14-8 Catalog No: AG002LUY MDL No:MFCD04114940
Product Description
Catalog Number:
AG002LUY
Chemical Name:
4-Oxazolecarboxylic acid, ethyl ester
CAS Number:
23012-14-8
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD04114940
IUPAC Name:
ethyl 1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C6H7NO3/c1-2-10-6(8)5-3-9-4-7-5/h3-4H,2H2,1H3
InChI Key:
UBESIXFCSFYQNK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cocn1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Direct palladium-catalyzed alkenylation, benzylation and alkylation of ethyl oxazole-4-carboxylate with alkenyl-, benzyl- and alkyl halides. | Organic & biomolecular chemistry 20090221 |
| Palladium-catalyzed direct (hetero)arylation of ethyl oxazole-4-carboxylate: an efficient access to (hetero)aryloxazoles. | The Journal of organic chemistry 20080919 |
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