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Basic information
- CAS
3384-26-7- Standard SMILES
COC1=CC(=O)OC(CCc2ccccc2)C1- InChIKey
VOOYTQRREPYRIW-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- Marindinin
- IUPAC
- 4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
Names & synonyms
Marindinin4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-oneRefChem:1088866106-462-07,8-Dihydrokavain3384-26-7(S)-(+)-7,8-DihydrokavainDihydro-KavainDihydro-Kawain4-Methoxy-6-phenethyl-5,6-dihydropyran-2-one(+/-)-Dihydrokawain7,8-Dihydrokawain;7,8-Dihydrokavain;Marindinin
Show more names
Dihydrokawain [M+H]+5,6-Dihydro-4-methoxy-6-phenethyl-2H-Pyran-2-one(6S)-5,6-Dihydro-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-oneSCHEMBL2743647CHEMBL1338909VOOYTQRREPYRIW-UHFFFAOYSA-NDTXSID101018162NSC23875
Database identifiers
- CAS
3384-26-7、587-63-3、73536-68-2- PubChem CID
- 98356
- DTXSID
DTXSID101018162- ChEMBL
CHEMBL1338909- EC Number
- 106-462-0
- Nikkaji
- J1.892.683K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
Melting Point56 - 60 °C
Physical DescriptionSolid
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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