| CAS Number | 23286-53-5 |
| Catalog Number | AG00BUXH(AGN-PC-0QZNBJ) |
| Chemical Name | Methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate |
| IUPAC Name | methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate |
| InChI | InChI=1S/C6H8N2O3/c1-3-4(6(9)10-2)5(7)11-8-3/h7H2,1-2H3 |
| InChI Key | SSWHJCSREUYXIA-UHFFFAOYSA-N |
| MDL Number | MFCD09953591 |
| Molecular Formula | C6H8N2O3 |
| Molecular Weight | 156.1393 |
| SMILES | COC(C1=C(N)ON=C1C)=O |
| Synonyms | 23286-53-5,
methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate,
METHYL 5-AMINO-3-METHYLISOXAZOLE-4-CARBOXYLATE,
BBL031648,
STL314522,
ZINC21163839,
AKOS006237399,
AB55470,
MCULE-7793851010,
NE59655,
Methyl 5-amino-3-methyl-4-isoxazolecarboxylate,
C6H8N2O3,
4-Isoxazolecarboxylic acid, 5-amino-3-methyl-, methyl ester (8CI),
|
| Complexity | 162 |
| 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 | 2 |
| 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
Lot Number