| CAS Number | 1218602-78-8 |
| Catalog Number | AG01DYJ0 |
| Chemical Name | 2-(1H-imidazol-1-yl)butanoic acid |
| IUPAC Name | 2-imidazol-1-ylbutanoic acid |
| InChI | InChI=1S/C7H10N2O2/c1-2-6(7(10)11)9-4-3-8-5-9/h3-6H,2H2,1H3,(H,10,11) |
| InChI Key | RYIFBESXYBFFFR-UHFFFAOYSA-N |
| MDL Number | MFCD12067260 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | CCC(N1C=NC=C1)C(O)=O |
| Synonyms | 2-(1H-IMIDAZOL-1-YL)BUTANOIC ACID,
1218602-78-8,
AKOS009995386,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number