| CAS Number | 182424-36-8 |
| Catalog Number | AG00B42Q(AGN-PC-0QC989) |
| Chemical Name | 4-Isoxazolecarboxylic acid, 3-amino-, ethyl ester |
| IUPAC Name | ethyl 3-amino-1,2-oxazole-4-carboxylate |
| InChI | InChI=1S/C6H8N2O3/c1-2-10-6(9)4-3-11-8-5(4)7/h3H,2H2,1H3,(H2,7,8) |
| InChI Key | JDBWUSFGLLSDDV-UHFFFAOYSA-N |
| MDL Number | MFCD18830930 |
| Molecular Formula | C6H8N2O3 |
| Molecular Weight | 156.1393 |
| SMILES | CCOC(C1C(N)=NOC=1)=O |
| Synonyms | ethyl 3-aminoisoxazole-4-carboxylate,
182424-36-8,
AKOS027401044,
ethyl3-amino-1,2-oxazole-4-carboxylate,
4-Isoxazolecarboxylicacid,3-amino-,ethylester(9CI),
Ethyl 3-amino-1,2-oxazole-4-carboxylate,
CID10487103,
4-Isoxazolecarboxylic acid, 3-amino-, ethyl ester (9CI),
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.141g/mol |
| Monoisotopic Mass | 156.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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