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CAS Number: 123770-62-7
ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate

Structure

ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate
Name: ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate
Synonyms:
General Information
Product Number: 123770627
CAS Registry Number: 123770-62-7
Name:
        3-​Isoxazolecarboxylic acid, 5-​(hydroxymethyl)​-​, ethyl ester
        5-​(Hydroxymethyl)​isoxazole-​3-​carboxylic acid ethyl ester; Ethyl 5-​(hydroxymethyl)​isoxazole-​3-​carboxylate 
 
Chemical Formula: C7H9NO4
Exact Mass: 171.05
Molecular Weight: 171.15
m/z: 171.05 (100.0%), 172.06 (7.8%), 173.06 (1.1%)
Elemental Analysis: C, 49.12; H, 5.30; N, 8.18; O, 37.39
 
InChI: InChI=1S/C7H9NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3,9H,2,4H2,1H3
InChIKey: ZWVVVEYXDQMHGQ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NOC(=C1)CO

Specification

98%

References

  • (1) Machetti, Fabrizio; European Journal of Organic Chemistry 2007, (26), P4352-4359 CAPLUS
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