| CAS Number | 1955547-92-8 |
| Catalog Number | AG01B4TE |
| Chemical Name | 2-(hydroxymethyl)-1H-1,3-benzodiazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H8N2O3.ClH/c12-4-7-10-6-3-1-2-5(9(13)14)8(6)11-7;/h1-3,12H,4H2,(H,10,11)(H,13,14);1H |
| InChI Key | KTADUJVIGWDHAV-UHFFFAOYSA-N |
| MDL Number | MFCD29991790 |
| Molecular Formula | C9H9ClN2O3 |
| Molecular Weight | 228.6324 |
| SMILES | Cl.OCC1NC2=C(C(C(O)=O)=CC=C2)N=1 |
| Synonyms | 2-(hydroxymethyl)-1H-1,3-benzodiazole-4-carboxylic acid hydrochloride,
1955547-92-8,
|
| Complexity | 234 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.632g/mol |
| Monoisotopic Mass | 228.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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