Basic information
- CAS
62847-90-9- Standard SMILES
CCC(O)=C1C(=O)CCCC1=O- InChIKey
KIXYWPAKWURPPK-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 3-Hydroxy-2-propionylcyclohex-2-enone
- IUPAC
- 2-(1-hydroxypropylidene)cyclohexane-1,3-dione
Names & synonyms
62847-90-93-hydroxy-2-propionylcyclohex-2-enoneRefChem:279811CHEMBL3087962-(1-hydroxypropylidene)cyclohexane-1,3-dioneDTXSID40343105ROVGIVWUAMEQQN-UHFFFAOYSA-N2-Cyclohexen-3-ol-1-one, 2-propioyl-PD1814003-Hydroxy-2-propionyl-2-cyclohexen-1-one #
Database identifiers
- CAS
62847-90-9- PubChem CID
- 587484
- DTXSID
DTXSID40343105- ChEMBL
CHEMBL308796- Nikkaji
- J1.796.035K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…