Methyl 3-Methylisoxazole-4-carboxylate - CAS 92234-50-9
Catalog: |
BB040457 |
Product Name: |
Methyl 3-Methylisoxazole-4-carboxylate |
CAS: |
92234-50-9 |
Synonyms: |
3-methyl-4-isoxazolecarboxylic acid methyl ester; methyl 3-methyl-1,2-oxazole-4-carboxylate |
IUPAC Name: | methyl 3-methyl-1,2-oxazole-4-carboxylate |
Description: | Methyl 3-Methylisoxazole-4-carboxylate (CAS# 92234-50-9 ) is a useful research chemical. |
Molecular Weight: | 141.12 |
Molecular Formula: | C6H7NO3 |
Canonical SMILES: | CC1=NOC=C1C(=O)OC |
InChI: | InChI=1S/C6H7NO3/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3 |
InChI Key: | QLWCWMCZEGJNQO-UHFFFAOYSA-N |
LogP: | 0.76960 |
Publication Number | Title | Priority Date |
KR-20120026593-A | Polycyclic Antagonist of Lysophosphatidic Acid Receptor | 20090603 |
AU-2009333275-A1 | Antagonists of lysophosphatidic acid receptors | 20081215 |
AU-2009333275-B2 | Antagonists of lysophosphatidic acid receptors | 20081215 |
US-6136828-A | Endothelin receptor antagonists | 19960201 |
PMID | Publication Date | Title | Journal |
21578861 | 20091121 | 5-Methyl-isoxazole-4-carboxylic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS