| CAS Number | 946061-01-4 |
| Catalog Number | AG01AN4J(AGN-PC-0WOKW6) |
| Chemical Name | 1-(1-ethyl-1H-imidazol-2-yl)ethan-1-one |
| IUPAC Name | 1-(1-ethylimidazol-2-yl)ethanone |
| InChI | InChI=1S/C7H10N2O/c1-3-9-5-4-8-7(9)6(2)10/h4-5H,3H2,1-2H3 |
| InChI Key | PCIHJYSVYWNLNU-UHFFFAOYSA-N |
| MDL Number | MFCD08668175 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CCN1C(C(C)=O)=NC=C1 |
| Synonyms | 946061-01-4,
1-(1-ethyl-1H-imidazol-2-yl)ethanone,
1-(1-ethyl-1H-imidazol-2-yl)ethan-1-one,
SCHEMBL2276496,
1-Ethyl-2-acetyl-1H-imidazole,
ZINC70184790,
AKOS009265120,
AM101689,
Ethanone, 1-(1-ethyl-1H-imidazol-2-yl)-,
Z1981120227,
1-BENZYL-PIPERIDINE-4-BORONIC ACID,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number