Basic information
- CAS
86499-01-6- Standard SMILES
COc1cccc2c1C(=O)C(C1CO1)=CC2=O- InChIKey
TVJKEFLMFFYCEC-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Names & identifiers
- Preferred name
- 8-Methoxy-2-(oxiran-2-yl)naphthalene-1,4-dione
- IUPAC
- 8-methoxy-2-(oxiran-2-yl)naphthalene-1,4-dione
Names & synonyms
86499-01-68-methoxy-2-(oxiran-2-yl)naphthalene-1,4-dioneNSC370933DTXSID10321157NSC-370933
Database identifiers
- CAS
86499-01-6- PubChem CID
- 340413
- DTXSID
DTXSID10321157
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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