| CAS Number | 141940-33-2 |
| Catalog Number | AG01A26C(AGN-PC-0JJ4D7) |
| Chemical Name | 2-Oxo-2,3-dihydro-1,3-benzoxazole-7-carboxylic acid |
| IUPAC Name | 2-oxo-3H-1,3-benzoxazole-7-carboxylic acid |
| InChI | InChI=1S/C8H5NO4/c10-7(11)4-2-1-3-5-6(4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11) |
| InChI Key | OPZIMCPFKGIVIL-UHFFFAOYSA-N |
| MDL Number | MFCD20642281 |
| Molecular Formula | C8H5NO4 |
| Molecular Weight | 179.1296 |
| SMILES | OC(C1=C2C(NC(O2)=O)=CC=C1)=O |
| Synonyms | 2-oxo-2,3-dihydro-1,3-benzoxazole-7-carboxylic acid,
141940-33-2,
2-oxo-2,3-dihydro-benzoxazole-7-carboxylic acid,
ZINC82164612,
AKOS017531558,
AKOS022707988,
MCULE-1458346288,
NE57741,
2-hydroxy-1,3-benzoxazole-7-carboxylic acid,
Z1507501807,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.131g/mol |
| Monoisotopic Mass | 179.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number