ethyl 2-oxo-6-phenyl-4-[(E)-2-phenylethenyl]cyclohex-3-ene-1-carboxylate
Basic information
- CAS
41186-22-5- Standard SMILES
CCOC(=O)C1C(=O)C=C(/C=C/c2ccccc2)CC1c1ccccc1- InChIKey
WWPKUGQERABLTG-BUHFOSPRSA-N- Molecular formula
- C23H22O3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.15689456
Names & identifiers
- Preferred name
- ethyl 2-oxo-6-phenyl-4-[(E)-2-phenylethenyl]cyclohex-3-ene-1-carboxylate
- IUPAC
- ethyl 2-oxo-6-phenyl-4-[(E)-2-phenylethenyl]cyclohex-3-ene-1-carboxylate
Names & synonyms
(E)-ethyl 3-oxo-5-styryl-1,2,3,6-tetrahydro-[1,1'-biphenyl]-2-carboxylateSTK831577AKOS003666125ethyl 2-oxo-6-phenyl-4-[(E)-2-phenylethenyl]cyclohex-3-ene-1-carboxylateNCGC00336372-0141186-22-5AB01331111-02
Database identifiers
- CAS
41186-22-5- PubChem CID
- 5338937
- EC Number
- 148-092-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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