| CAS Number | 56368-58-2 |
| Catalog Number | AG00EG0W(AGN-PC-0SLIOF) |
| Chemical Name | I4AA |
| IUPAC Name | sodium;2-(1H-imidazol-5-yl)acetate |
| InChI | InChI=1S/C5H6N2O2.Na/c8-5(9)1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7)(H,8,9);/q;+1/p-1 |
| InChI Key | JDDRCOTZMQIPOQ-UHFFFAOYSA-M |
| MDL Number | MFCD00005204 |
| Molecular Formula | C5H5N2NaO2 |
| Molecular Weight | 148.0952 |
| SMILES | [Na+].C(C1=CNC=N1)C(=O)[O-] |
| Synonyms | 56368-58-2,
I4AA,
Sodium 2-(1H-imidazol-4-yl)acetate,
Imidazole-4-acetic acid sodium salt,
Imidazole-4-aceticacidsodiumsalt,
1H-Imidazole-4-acetic acid, monosodium salt,
sodium 4-imidazoleacetate,
SCHEMBL2787425,
JDDRCOTZMQIPOQ-UHFFFAOYSA-M,
sodium 2-(1H-4-imidazolyl)acetate,
AKOS006343045,
CCG-214797,
FT-0766877,
C-34152,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.097g/mol |
| Monoisotopic Mass | 148.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number