| CAS Number | 171056-70-5 |
| Catalog Number | AG01DSV7(AGN-PC-00OQWP) |
| Chemical Name | 2-(2-Oxo-2,3-dihydro-1,3-benzoxazol-5-yl)acetic acid |
| IUPAC Name | 2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetic acid |
| InChI | InChI=1S/C9H7NO4/c11-8(12)4-5-1-2-7-6(3-5)10-9(13)14-7/h1-3H,4H2,(H,10,13)(H,11,12) |
| InChI Key | RGILNTVPXDNGOE-UHFFFAOYSA-N |
| MDL Number | MFCD21985193 |
| Molecular Formula | C9H7NO4 |
| Molecular Weight | 193.1562 |
| SMILES | OC(CC1=CC2=C(OC(N2)=O)C=C1)=O |
| Synonyms | 171056-70-5,
2-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)acetic acid,
SCHEMBL9131214,
RGILNTVPXDNGOE-UHFFFAOYSA-N,
AKOS022795326,
2-Hydroxybenzo[d]oxazole-5-acetic acid,
2-Oxo-2,3-dihydrobenzoxazole-5-acetic acid,
FT-0748817,
5-Benzoxazoleacetic acid, 2,3-dihydro-2-oxo-,
2-(2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)acetic acid,
2,3-dihydro-2-oxo-5-Benzoxazoleacetic acid,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.158g/mol |
| Monoisotopic Mass | 193.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number