| CAS Number | 885273-84-7 |
| Catalog Number | AG003AN0(AGN-PC-05EWHY) |
| Chemical Name | 3-(2-Methoxyphenyl)isoxazole-5-carboxylic acid |
| IUPAC Name | 3-(2-methoxyphenyl)-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C11H9NO4/c1-15-9-5-3-2-4-7(9)8-6-10(11(13)14)16-12-8/h2-6H,1H3,(H,13,14) |
| InChI Key | ZDUJICWJBDOFNJ-UHFFFAOYSA-N |
| MDL Number | MFCD06796134 |
| Molecular Formula | C11H9NO4 |
| Molecular Weight | 219.1935 |
| SMILES | COC1=C(C=CC=C1)C1=NOC(=C1)C(=O)O |
| Synonyms | 885273-84-7,
3-(2-Methoxyphenyl)isoxazole-5-carboxylic acid,
3-(2-METHOXY-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID,
3-(2-Methoxyphenyl)isoxazole-5-carboxylicacid,
SCHEMBL19555854,
DTXSID40651636,
5145AH,
MFCD06796134,
ZINC20264933,
AJ-76675,
AX8025376,
DB-077544,
FT-0744139,
3-(2-Methoxyphenyl)-5-isoxazolecarboxylic acid,
A-7427,
3-(2-methoxyphenyl)-1,2-oxazole-5-carboxylic acid,
3-(2-Methoxyphenyl)isoxazole-5-carboxylic acid, AldrichCPR,
C11H9NO4,
N/A,
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| 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 | 1.9 |
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Certificate of Analysis
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