| CAS Number | 67387-58-0 |
| Catalog Number | AG005OQN(AGN-PC-015TR0) |
| Chemical Name | 2-Hydroxy-5-(5-methylisoxazole-4-carboxamido)benzoic acid |
| IUPAC Name | 2-hydroxy-5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid |
| InChI | InChI=1S/C12H10N2O5/c1-6-9(5-13-19-6)11(16)14-7-2-3-10(15)8(4-7)12(17)18/h2-5,15H,1H3,(H,14,16)(H,17,18) |
| InChI Key | SLFZLYZZUXLKLI-UHFFFAOYSA-N |
| MDL Number | MFCD09045989 |
| Molecular Formula | C12H10N2O5 |
| Molecular Weight | 262.2182 |
| SMILES | CC1=C(C(NC2=CC(C(O)=O)=C(O)C=C2)=O)C=NO1 |
| Synonyms | 67387-58-0,
2-hydroxy-5-(5-methyl-1,2-oxazole-4-amido)benzoic acid,
2-Hydroxy-5-(5-methylisoxazole-4-carboxamido)benzoic acid,
2-hydroxy-5-[(5-methyl-1,2-oxazole-4-)amido]benzoic acid,
Benzoic acid, 2-hydroxy-5-[[(5-methyl-4-isoxazolyl)carbonyl]amino]-,
AC1Q2EV8,
SCHEMBL8809866,
CTK1J3539,
DTXSID70588244,
2-Hydroxy-5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid,
ZINC21964148,
AKOS000130172,
MCULE-5162517504,
NE14176,
EN300-50502,
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| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.221g/mol |
| Monoisotopic Mass | 262.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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