Compound C13H18O2
2,4,4-trimethyl-3-(3-oxobut-1-enyl)cyclohex-2-en-1-one
CAS: 27185-77-9
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.28 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 34.1 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 27185-77-9 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C)C=CC(=O)C |
| InChIKey | OBHGOXFSRVNKBS-UHFFFAOYSA-N |
📖 Product Overview
Compound C13H18O2 (CAS: 27185-77-9) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.28 g/mol. Its IUPAC systematic name is 2,4,4-trimethyl-3-(3-oxobut-1-enyl)cyclohex-2-en-1-one.
OBHGOXFSRVNKBS-UHFFFAOYSA-N.
SMILES: CC1=C(C(CCC1=O)(C)C)C=CC(=O)C.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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