Basic information
- CAS
6095-94-9- Standard SMILES
CCc1c(C)c2ccc(OC)c(C)c2oc1=O- InChIKey
LKASKHWGVOLPRK-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- 3-Ethyl-7-methoxy-4,8-dimethylchromen-2-one
- IUPAC
- 3-ethyl-7-methoxy-4,8-dimethylchromen-2-one
Names & synonyms
3-ethyl-7-methoxy-4,8-dimethylchromen-2-one6095-94-9DTXSID50350648RefChem:279242DTXCID903017153-ethyl-7-methoxy-4,8-dimethyl-2H-chromen-2-one3-Ethyl-7-methoxy-4,8-dimethyl-2H-1-benzopyran-2-oneCBMicro_045205HTS06038STK374284AKOS001735185BIM-0045185.P001
Show more names
ST4038851EU-0085084AG-205/12009126SR-01000520066SR-01000520066-1
Database identifiers
- CAS
6095-94-9- PubChem CID
- 685124
- DTXSID
DTXSID50350648
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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