| CAS Number | 860546-40-3 |
| Catalog Number | AG00IDVR(AGN-PC-0WQZ80) |
| Chemical Name | (2E)-3,4,4-Trimethylpent-2-enamide |
| IUPAC Name | 3,4,4-trimethylpent-2-enamide |
| InChI | InChI=1S/C8H15NO/c1-6(5-7(9)10)8(2,3)4/h5H,1-4H3,(H2,9,10) |
| InChI Key | IVZXTSKOMNRMCD-UHFFFAOYSA-N |
| MDL Number | MFCD19206375 |
| Molecular Formula | C8H15NO |
| Molecular Weight | 141.2108 |
| SMILES | CC(=C/C(N)=O)C(C)(C)C |
| Synonyms | 3,4,4-trimethylpent-2-enamide,
(2E)-3,4,4-TRIMETHYLPENT-2-ENAMIDE,
860546-40-3,
AC1L6IDT,
CTK5J8617,
NSC59880,
CID246580,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.214g/mol |
| Monoisotopic Mass | 141.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number