| CAS Number | 1354630-46-8 |
| Catalog Number | AG009ASV |
| Chemical Name | ANTI-DYNAMIN II |
| IUPAC Name | 4-pent-4-ynylcyclohexane-1,3-dione |
| InChI | InChI=1S/C11H14O2/c1-2-3-4-5-9-6-7-10(12)8-11(9)13/h1,9H,3-8H2 |
| InChI Key | UNMICBPHYXLMRA-UHFFFAOYSA-N |
| MDL Number | MFCD29035347 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | O=C1CCC(CCCC#C)C(C1)=O |
| Synonyms | 4-(Pent-4-yn-1-yl)cyclohexane-1,3-dione,
DYn-2,
ANTI-DYNAMIN II,
1354630-46-8,
SCHEMBL15782162,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number