| CAS Number | 1547093-99-1 |
| Catalog Number | AG01C57F |
| Chemical Name | 3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid |
| IUPAC Name | 3-ethyl-2-oxo-1H-benzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C10H10N2O3/c1-2-12-8-5-6(9(13)14)3-4-7(8)11-10(12)15/h3-5H,2H2,1H3,(H,11,15)(H,13,14) |
| InChI Key | SRKAYPNQWBNHTG-UHFFFAOYSA-N |
| MDL Number | MFCD24306252 |
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.1980 |
| SMILES | CCN1C2=C(C=CC(C(O)=O)=C2)NC1=O |
| Synonyms | 3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid,
1547093-99-1,
AKOS021102488,
ZINC107147214,
Z2472860046,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.201g/mol |
| Monoisotopic Mass | 206.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number