Basic information
- CAS
86499-00-5- Standard SMILES
CC1=C(C2CO2)C(=O)c2ccccc2C1=O- InChIKey
WTQASDUMQGOLDV-UHFFFAOYSA-N- Molecular formula
- C13H10O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.06299418
Names & identifiers
- Preferred name
- 2-Methyl-3-(oxiran-2-yl)naphthalene-1,4-dione
- IUPAC
- 2-methyl-3-(oxiran-2-yl)naphthalene-1,4-dione
Names & synonyms
86499-00-52-methyl-3-(oxiran-2-yl)naphthalene-1,4-dioneNSC370932DTXSID50321156NSC-370932
Database identifiers
- CAS
86499-00-5- PubChem CID
- 340412
- DTXSID
DTXSID50321156
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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