| CAS Number | 1710821-09-2 |
| Catalog Number | AG01BIGV |
| Chemical Name | 3-(2,2-dimethylpropyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid |
| IUPAC Name | 3-(2,2-dimethylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid |
| InChI | InChI=1S/C13H16N2O3/c1-13(2,3)7-15-10-8(11(16)17)5-4-6-9(10)14-12(15)18/h4-6H,7H2,1-3H3,(H,14,18)(H,16,17) |
| InChI Key | CILPVTWSVKQFED-UHFFFAOYSA-N |
| MDL Number | MFCD26246242 |
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.2777 |
| SMILES | CC(CN1C2=C(C=CC=C2C(O)=O)NC1=O)(C)C |
| Synonyms | 3-(2,2-dimethylpropyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carboxylic acid,
1710821-09-2,
AKOS034045717,
ZINC129657330,
Z2830704599,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.282g/mol |
| Monoisotopic Mass | 248.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number