| CAS Number | 85109-99-5 |
| Catalog Number | AG004OIS(AGN-PC-0WAK29) |
| Chemical Name | METHYL 5-DIETHOXYMETHYLIMIDAZOLE-4-CARBOXYLATE |
| IUPAC Name | methyl 5-(diethoxymethyl)-1H-imidazole-4-carboxylate |
| InChI | InChI=1S/C10H16N2O4/c1-4-15-10(16-5-2)8-7(9(13)14-3)11-6-12-8/h6,10H,4-5H2,1-3H3,(H,11,12) |
| InChI Key | JUOJAAHYRVLTCC-UHFFFAOYSA-N |
| MDL Number | MFCD09033058 |
| Molecular Formula | C10H16N2O4 |
| Molecular Weight | 228.2450 |
| SMILES | C(C)OC(C1=C(N=CN1)C(=O)OC)OCC |
| Synonyms | Methyl 5-(diethoxymethyl)-1H-imidazole-4-carboxylate,
85109-99-5,
METHYL 5-DIETHOXYMETHYLIMIDAZOLE-4-CARBOXYLATE,
SCHEMBL1173887,
SCHEMBL20681335,
CTK5F4157,
DTXSID90509996,
JUOJAAHYRVLTCC-UHFFFAOYSA-N,
MFCD09033058,
ZINC22000840,
AKOS015964961,
AJ-80106,
AX8139155,
methyl 4-(diethoxy-methyl)-1H-imidazole-5-carboxylate,
methyl 4-(diethoxymethyl)-1H-imidazole-5-carboxylate,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.248g/mol |
| Monoisotopic Mass | 228.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 73.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number