Basic information
- CAS
634163-12-5- Standard SMILES
CC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1- InChIKey
GCWKSFBJNYMOLM-UHFFFAOYSA-N- Molecular formula
- C20H18O5
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.11542367
Names & identifiers
- Preferred name
- 3-(2,5-dimethylphenoxy)-7-(2-oxopropoxy)-4H-chromen-4-one
- IUPAC
- 3-(2,5-dimethylphenoxy)-7-(2-oxopropoxy)chromen-4-one
- English name
- 3-(2,5-dimethylphenoxy)-7-(2-oxopropoxy)-4H-chromen-4-one
- Molecular formula
- C20H18O5
- Molecular weight
- 338.35
Names & synonyms
3-(2,5-dimethylphenoxy)-7-(2-oxopropoxy)-4H-chromen-4-one3-(2,5-dimethylphenoxy)-7-(2-oxopropoxy)chromen-4-oneAKOS001687609AP-906/41881886SR-01000113257SR-01000113257-13-(2,5-dimethylphenoxy)-7-(2-oxopropoxy)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 3-(2,5-dimethylphenoxy)-7-(2-oxopropoxy)-
Database identifiers
- CAS
634163-12-5- PubChem CID
- 733127
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 490.7 · 490.7±45.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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