| CAS Number | 1629161-40-5 |
| Catalog Number | AG00ASKE |
| Chemical Name | methyl 5-amino-isoxazole-3-carboxylate |
| IUPAC Name | methyl 5-amino-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C5H6N2O3/c1-9-5(8)3-2-4(6)10-7-3/h2H,6H2,1H3 |
| InChI Key | ASPWUCLSRISGIM-UHFFFAOYSA-N |
| MDL Number | MFCD27923272 |
| Molecular Formula | C5H6N2O3 |
| Molecular Weight | 142.1127 |
| SMILES | COC(=O)c1cc(on1)N |
| Synonyms | Methyl 5-aminoisoxazole-3-carboxylate,
1629161-40-5,
methyl 5-amino-1,2-oxazole-3-carboxylate,
MFCD27923272,
ZINC95929697,
AKOS022176286,
methyl 5-amino-isoxazole-3-carboxylate,
AS-43062,
AJ-135682,
CS-0058753,
5-Aminoisoxazole-3-carboxylic acid methyl ester,
Z2160914665,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.114g/mol |
| Monoisotopic Mass | 142.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number