| CAS Number | 887408-15-3 |
| Catalog Number | AG01BHES(AGN-PC-0WAAPP) |
| Chemical Name | 5-(2-Methoxyphenyl)-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C11H9NO4/c1-15-9-5-3-2-4-7(9)10-8(11(13)14)6-12-16-10/h2-6H,1H3,(H,13,14) |
| InChI Key | ZNHBVBDXZHGKMW-UHFFFAOYSA-N |
| MDL Number | MFCD07357467 |
| Molecular Formula | C11H9NO4 |
| Molecular Weight | 219.1935 |
| SMILES | COC1=C(C2=C(C(O)=O)C=NO2)C=CC=C1 |
| Synonyms | 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid,
887408-15-3,
5-(2-METHOXY-PHENYL)-ISOXAZOLE-4-CARBOXYLIC ACID,
SCHEMBL3546195,
CTK7B0976,
DTXSID90628510,
ZNHBVBDXZHGKMW-UHFFFAOYSA-N,
ZINC8700114,
AKOS017560290,
5-(2-methoxyphenyl)-isoxazole-4-carboxylic acid,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.196g/mol |
| Monoisotopic Mass | 219.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number