| CAS Number | 1510086-97-1 |
| Catalog Number | AG01C1KA |
| Chemical Name | methyl 1-methyl-1H-1,3-benzodiazole-7-carboxylate |
| IUPAC Name | methyl 3-methylbenzimidazole-4-carboxylate |
| InChI | InChI=1S/C10H10N2O2/c1-12-6-11-8-5-3-4-7(9(8)12)10(13)14-2/h3-6H,1-2H3 |
| InChI Key | SGBQRZZKMPEKHK-UHFFFAOYSA-N |
| MDL Number | MFCD26695031 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.1986 |
| SMILES | COC(C1=C2C(N=CN2C)=CC=C1)=O |
| Synonyms | 1510086-97-1,
ZINC76208348,
AKOS023169439,
methyl 1-methyl-1H-1,3-benzodiazole-7-carboxylate,
Z2236664663,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.202g/mol |
| Monoisotopic Mass | 190.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number