| CAS Number | 1019367-66-8 |
| Catalog Number | AG01B6O6 |
| Chemical Name | 1-cyclopropyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid |
| IUPAC Name | 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C11H10N2O3/c14-10(15)6-1-4-9-8(5-6)12-11(16)13(9)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,16)(H,14,15) |
| InChI Key | PRGHTWSNAGRIHL-UHFFFAOYSA-N |
| MDL Number | MFCD11131637 |
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.2087 |
| SMILES | OC(C1=CC2=C(N(C(N2)=O)C2CC2)C=C1)=O |
| Synonyms | 1-cyclopropyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid,
1019367-66-8,
ZINC19843492,
AKOS000210429,
Z2574360302,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.212g/mol |
| Monoisotopic Mass | 218.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number