| CAS Number | 1260773-84-9 |
| Catalog Number | AG00J3HB(AGN-PC-0WRAVT) |
| Chemical Name | 4-methyl-1H-imidazole-2-carboxylic acid hydrate |
| IUPAC Name | 5-methyl-1H-imidazole-2-carboxylic acid;hydrate |
| InChI | InChI=1S/C5H6N2O2.H2O/c1-3-2-6-4(7-3)5(8)9;/h2H,1H3,(H,6,7)(H,8,9);1H2 |
| InChI Key | OYSGXVXHGQETFC-UHFFFAOYSA-N |
| MDL Number | MFCD09055403 |
| Molecular Formula | C5H8N2O3 |
| Molecular Weight | 144.1286 |
| SMILES | C1(C(O)=O)NC=C(C)N=1.O |
| Synonyms | 4-Methyl-1H-Imidazole-2-Carboxylic Acid Hydrate,
1260773-84-9,
ZX-CM015015,
MFCD12974871,
5-Methyl-1H-imidazole-2-carboxylic acid hydrate,
4401881-25G,
4-Methyl-1H-imidazole-2-carboxylic acid hydrate, AldrichCPR,
70631-93-5,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.13g/mol |
| Monoisotopic Mass | 144.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number