| CAS Number | 479028-75-6 |
| Catalog Number | AG01C7CF(AGN-PC-0RXC1U) |
| Chemical Name | (2E)-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROP-2-ENOIC ACID HYDROCHLORIDE |
| IUPAC Name | 3-(1-methylimidazol-4-yl)prop-2-enoic acid;hydrochloride |
| InChI | InChI=1S/C7H8N2O2.ClH/c1-9-4-6(8-5-9)2-3-7(10)11;/h2-5H,1H3,(H,10,11);1H |
| InChI Key | WVHBRHOUQUGHKG-UHFFFAOYSA-N |
| MDL Number | MFCD31435813 |
| Molecular Formula | C7H9ClN2O2 |
| Molecular Weight | 188.6116 |
| SMILES | Cl.CN1C=C(/C=C/C(O)=O)N=C1 |
| Synonyms | (2E)-3-(1-methyl-1H-imidazol-4-yl)prop-2-enoic acid hydrochloride, E,
479028-75-6,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.611g/mol |
| Monoisotopic Mass | 188.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
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