| CAS Number | 1177298-78-0 |
| Catalog Number | AG00J1MD(AGN-PC-0WO73B) |
| Chemical Name | 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid hydrochloride |
| IUPAC Name | 5-(imidazol-1-ylmethyl)furan-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H8N2O3.ClH/c12-9(13)8-2-1-7(14-8)5-11-4-3-10-6-11;/h1-4,6H,5H2,(H,12,13);1H |
| InChI Key | USYZZKNHUPKMLN-UHFFFAOYSA-N |
| MDL Number | MFCD11655674 |
| Molecular Formula | C9H9ClN2O3 |
| Molecular Weight | 228.6324 |
| SMILES | Cl.OC(C1OC(CN2C=NC=C2)=CC=1)=O |
| Synonyms | 1177298-78-0,
5-(1H-IMIDAZOL-1-YLMETHYL)-2-FUROIC ACID HYDROCHLORIDE,
5-(1H-imidazol-1-ylmethyl)furan-2-carboxylic acid hydrochloride,
AC1Q3EXS,
KM4452,
MFCD11655674,
AKOS005143880,
MCULE-3780184867,
EN300-71877,
5-(1H-Imidazol-1-ylmethyl)-2-furoic acid, HCl,
Z1259273330,
5-(imidazol-1-ylmethyl)furan-2-carboxylic acid hydrochloride,
5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid hydrochloride,
876709-30-7,
|
| Complexity | 222 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.632g/mol |
| Monoisotopic Mass | 228.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number