| CAS Number | 1015533-35-3 |
| Catalog Number | AG00H9HT |
| Chemical Name | potassium 2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetate |
| IUPAC Name | potassium;2-(2-methylbenzimidazol-1-yl)acetate |
| InChI | InChI=1S/C10H10N2O2.K/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14;/h2-5H,6H2,1H3,(H,13,14);/q;+1/p-1 |
| InChI Key | XRPVBBDULKSUIF-UHFFFAOYSA-M |
| MDL Number | MFCD07289057 |
| Molecular Formula | C10H9KN2O2 |
| Molecular Weight | 228.2890 |
| SMILES | CC1=NC2=C(N1CC(=O)[O-])C=CC=C2.[K+] |
| Synonyms | potassium (2-methyl-1H-benzimidazol-1-yl)acetate,
1015533-35-3,
potassium 2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetate,
AC1Q1U0L,
CTK5I5025,
MFCD07289057,
NE20246,
EN300-11384,
J-523995,
Potassium 2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetate,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.292g/mol |
| Monoisotopic Mass | 228.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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