| CAS Number | 1262771-88-9 |
| Catalog Number | AG00J12M(AGN-PC-0WB69C) |
| Chemical Name | 3-(2-ethyl-1H-imidazol-1-yl)propanoic acid hydrate |
| IUPAC Name | 3-(2-ethylimidazol-1-yl)propanoic acid;hydrate |
| InChI | InChI=1S/C8H12N2O2.H2O/c1-2-7-9-4-6-10(7)5-3-8(11)12;/h4,6H,2-3,5H2,1H3,(H,11,12);1H2 |
| InChI Key | NATLRXUXJKWBMP-UHFFFAOYSA-N |
| MDL Number | MFCD13193838 |
| Molecular Formula | C8H14N2O3 |
| Molecular Weight | 186.2084 |
| SMILES | N1(CCC(O)=O)C=CN=C1CC.O |
| Synonyms | 3-(2-Ethyl-1H-imidazol-1-yl)propanoic acid hydrate,
1262771-88-9,
ZX-CM002686,
MFCD13193838,
AKOS027426260,
3-(2-Ethyl-1H-imidazol-1-yl)propanoic acid hydrate, AldrichCPR,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.211g/mol |
| Monoisotopic Mass | 186.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number