| CAS Number | 885704-73-4 |
| Catalog Number | AG01E2KC(AGN-PC-0OLSIN) |
| Chemical Name | 2-methoxycarbonyl-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 2-methoxycarbonyl-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C6H5NO5/c1-11-6(10)4-7-3(2-12-4)5(8)9/h2H,1H3,(H,8,9) |
| InChI Key | NZZZNPZAFJRZTK-UHFFFAOYSA-N |
| MDL Number | MFCD28672778 |
| Molecular Formula | C6H5NO5 |
| Molecular Weight | 171.1076 |
| SMILES | COC(=O)C=1OC=C(N1)C(=O)O |
| Synonyms | 885704-73-4,
2,4-Oxazoledicarboxylic acid, 2-methyl ester,
AKOS023100783,
2-methoxycarbonyl-1,3-oxazole-4-carboxylic acid,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.108g/mol |
| Monoisotopic Mass | 171.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number