| CAS Number | 145441-18-5 |
| Catalog Number | AG01A4Y5(AGN-PC-0O33RV) |
| Chemical Name | 3-(Methoxycarbonyl)-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-methoxycarbonyl-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C6H5NO5/c1-11-6(10)3-2-4(5(8)9)12-7-3/h2H,1H3,(H,8,9) |
| InChI Key | SHFORSIVIRQTIZ-UHFFFAOYSA-N |
| MDL Number | MFCD20654390 |
| Molecular Formula | C6H5NO5 |
| Molecular Weight | 171.1076 |
| SMILES | COC(C1=NOC(C(O)=O)=C1)=O |
| Synonyms | 3-(methoxycarbonyl)-1,2-oxazole-5-carboxylic acid,
145441-18-5,
3-methoxycarbonyl-5-isoxazolecarboxylic acid,
MFCD20654390,
ZINC76598422,
AKOS023203384,
NE53106,
3-(Methoxycarbonyl)-5-isoxazolecarboxylic 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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