Basic information
- CAS
55025-03-1- Standard SMILES
CCOC1=C(CC)C(=O)c2ccccc2C1=O- InChIKey
CNUOYYIPHHBFCN-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Names & identifiers
- Preferred name
- 2-Ethoxy-3-ethylnaphthalene-1,4-dione
- IUPAC
- 2-ethoxy-3-ethylnaphthalene-1,4-dione
Names & synonyms
2-ethoxy-3-ethylnaphthalene-1,4-dione55025-03-1NSC347111SCHEMBL9627536DTXSID30319556NSC-3471112-Ethoxy-3-ethyl-[1,4]naphthoquinone2-Ethoxy-3-ethyl-naphthalene-1,4-dioneDS-013217
Database identifiers
- CAS
55025-03-1- PubChem CID
- 335804
- DTXSID
DTXSID30319556
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…