Basic information
- CAS
66346-55-2- Standard SMILES
CCCc1cc(=O)oc2cc(OC)cc(OC)c12- InChIKey
NEHXNKGHPJIQBT-UHFFFAOYSA-N- Molecular formula
- C14H16O4
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.10485899
Names & identifiers
- Preferred name
- 5,7-Dimethoxy-4-propyl-chromen-2-one
- IUPAC
- 5,7-dimethoxy-4-propylchromen-2-one
- English name
- 5,7-Dimethoxy-4-propyl-chromen-2-one
- Molecular formula
- C14H16O4
- Molecular weight
- 248.27
Names & synonyms
66346-55-25,7-DIMETHOXY-4-PROPYL-CHROMEN-2-ONE5,7-dimethoxy-4-propyl-2H-chromen-2-one5,7-Dimethoxy-4-propyl-2H-1-benzopyran-2-one5,7-dimethoxy-4-propylchromen-2-oneOprea1_814577DTXSID10357855AKOS016379500SR-01000219414SR-01000219414-12H-1-Benzopyran-2-one, 5,7-dimethoxy-4-propyl-
Database identifiers
- CAS
66346-55-2- PubChem CID
- 869801
- DTXSID
DTXSID10357855
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 227 · 227-233 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 412.1 · 412.1±45.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
APAC Pharmaceutical, LLC[email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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