| CAS Number | 25790-34-5 |
| Catalog Number | AG01C4ZD |
| Chemical Name | 1-Cyclohexylpentane-1,3-dione |
| IUPAC Name | 1-cyclohexylpentane-1,3-dione |
| InChI | InChI=1S/C11H18O2/c1-2-10(12)8-11(13)9-6-4-3-5-7-9/h9H,2-8H2,1H3 |
| InChI Key | BXPLVRDZCIJGLU-UHFFFAOYSA-N |
| MDL Number | MFCD08700478 |
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.2594 |
| SMILES | CCC(CC(C1CCCCC1)=O)=O |
| Synonyms | 1-cyclohexylpentane-1,3-dione,
25790-34-5,
SCHEMBL10984628,
ZINC26545023,
AKOS004115250,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.263g/mol |
| Monoisotopic Mass | 182.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number