| CAS Number | 934172-40-4 |
| Catalog Number | AG00IHLS(AGN-PC-0WG3V6) |
| Chemical Name | Methyl 5-methyl-3-isoxazoleacetate |
| IUPAC Name | methyl 2-(5-methyl-1,2-oxazol-3-yl)acetate |
| InChI | InChI=1S/C7H9NO3/c1-5-3-6(8-11-5)4-7(9)10-2/h3H,4H2,1-2H3 |
| InChI Key | BFEXHCWYSBOWEK-UHFFFAOYSA-N |
| MDL Number | MFCD18833816 |
| Molecular Formula | C7H9NO3 |
| Molecular Weight | 155.1513 |
| SMILES | O=C(OC)CC1=NOC(C)=C1 |
| Synonyms | 934172-40-4,
3-ISOXAZOLEACETIC ACID, 5-METHYL-, METHYL ESTER,
Methyl 2-(5-methylisoxazol-3-yl)acetate,
methyl 2-(5-methyl-1,2-oxazol-3-yl)acetate,
SCHEMBL2828069,
BFEXHCWYSBOWEK-UHFFFAOYSA-N,
MFCD18833816,
ZINC39123944,
AM806365,
AS-54819,
5-Methyl-3-isoxazoleacetic acid methyl ester,
CS-0037672,
(5-methyl-isoxazol-3-yl)-acetic acid methyl ester,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.153g/mol |
| Monoisotopic Mass | 155.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number