Methyl 5-(2-Furyl)isoxazole-3-carboxylate - CAS 33545-41-4
Catalog: |
BB021765 |
Product Name: |
Methyl 5-(2-Furyl)isoxazole-3-carboxylate |
CAS: |
33545-41-4 |
Synonyms: |
5-(2-furanyl)-3-isoxazolecarboxylic acid methyl ester; methyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate |
IUPAC Name: | methyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate |
Description: | Methyl 5-(2-Furyl)isoxazole-3-carboxylate (CAS# 33545-41-4) is a useful research chemical. |
Molecular Weight: | 193.16 |
Molecular Formula: | C9H7NO4 |
Canonical SMILES: | COC(=O)C1=NOC(=C1)C2=CC=CO2 |
InChI: | InChI=1S/C9H7NO4/c1-12-9(11)6-5-8(14-10-6)7-3-2-4-13-7/h2-5H,1H3 |
InChI Key: | VTEZSUGFQUZAQW-UHFFFAOYSA-N |
LogP: | 1.72120 |
Publication Number | Title | Priority Date |
AU-2007268749-A1 | Novel heterocyclic compound or salt thereof and intermediate thereof | 20060526 |
AU-2007268749-B2 | Novel heterocyclic compound or salt thereof and intermediate thereof | 20060526 |
CA-2652501-A1 | Novel heterocyclic compound or salt thereof and intermediate thereof | 20060526 |
CA-2652501-C | Novel heterocyclic compound or salt thereof and intermediate thereof | 20060526 |
EP-2022793-A1 | Novel heterocyclic compound or salt thereof and intermediate thereof | 20060526 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0375077 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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