Basic information
- CAS
32358-78-4- Standard SMILES
COC1=Cc2c(OC)cccc2C(=O)C1=O- InChIKey
ZETKYIRJBLHNKN-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 3,5-Dimethoxy-1,2-naphthalenedione
- IUPAC
- 3,5-dimethoxynaphthalene-1,2-dione
- English name
- 3,5-Dimethoxy-1,2-naphthalenedione
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
3,5-Dimethoxy-1,2-naphthalenedione32358-78-4DTXSID80341948RefChem:271820DTXCID702930283,5-dimethoxynaphthalene-1,2-dione1,2-Naphthoquinone, 3,5-dimethoxy-ZETKYIRJBLHNKN-UHFFFAOYSA-N3,5-Dimethoxy-1,2-naphthalenedione #3,5-Dimethoxy-1,2-naphthoquinone1,2-Naphthalenedione, 3,5-dimethoxy-
Database identifiers
- CAS
32358-78-4- PubChem CID
- 577258
- DTXSID
DTXSID80341948- Nikkaji
- J114.163E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 414.1 · 414.1±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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