| CAS Number | 100960-55-2 |
| Catalog Number | AG009KNZ |
| Chemical Name | 2-oxo-2,3-dihydro-1,3-benzoxazole-4-carboxylic acid |
| IUPAC Name | 2-oxo-3H-1,3-benzoxazole-4-carboxylic acid |
| InChI | InChI=1S/C8H5NO4/c10-7(11)4-2-1-3-5-6(4)9-8(12)13-5/h1-3H,(H,9,12)(H,10,11) |
| InChI Key | BHUOYWFKNMUNNR-UHFFFAOYSA-N |
| MDL Number | MFCD11111728 |
| Molecular Formula | C8H5NO4 |
| Molecular Weight | 179.1296 |
| SMILES | OC(C1=C2C(OC(N2)=O)=CC=C1)=O |
| Synonyms | 100960-55-2,
2-oxo-2,3-dihydro-1,3-benzoxazole-4-carboxylic acid,
4-Benzoxazolecarboxylic acid, 2,3-dihydro-2-oxo-,
SCHEMBL2482363,
BHUOYWFKNMUNNR-UHFFFAOYSA-N,
ZINC71477375,
AKOS006307711,
AKOS017405831,
2-Hydroxybenzo[d]oxazole-4-carboxylic acid,
2-hydroxy-1,3-benzoxazole-4-carboxylic acid,
2,3-dihydro-2-oxobenzo[d]oxazole-4-carboxylic acid,
Z2130740608,
CID10921091,
2-oxo-3H-benzooxazole-4-carboxylic Acid,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number