| CAS Number | 88091-37-6 |
| Catalog Number | AG004GWR(AGN-PC-00MV01) |
| Chemical Name | 1H-Imidazole-4-carboxaldehyde, 1-ethyl- |
| IUPAC Name | 1-ethylimidazole-4-carbaldehyde |
| InChI | InChI=1S/C6H8N2O/c1-2-8-3-6(4-9)7-5-8/h3-5H,2H2,1H3 |
| InChI Key | NRRFNLUQOIHVKN-UHFFFAOYSA-N |
| MDL Number | MFCD20485140 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | O=CC1=CN(CC)C=N1 |
| Synonyms | 1-ethyl-1H-imidazole-4-carbaldehyde,
88091-37-6,
1H-Imidazole-4-carboxaldehyde, 1-ethyl-,
1-Ethyl-1H-imidazole-4-carboxaldehyde,
SCHEMBL2428021,
CTK3B8211,
DTXSID90542585,
NRRFNLUQOIHVKN-UHFFFAOYSA-N,
AKOS022633086,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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