Basic information
- CAS
30839-37-3- Standard SMILES
COC1=Cc2cccc(OC)c2C(=O)C1=O- InChIKey
USPABKMXXHGWFI-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 3,8-Dimethoxy-1,2-naphthalenedione
- IUPAC
- 3,8-dimethoxynaphthalene-1,2-dione
- English name
- 3,8-Dimethoxy-1,2-naphthoquinone
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
3,8-Dimethoxy-1,2-naphthalenedione30839-37-3DTXSID50341950RefChem:272758DTXCID402930303,8-Dimethoxy-1,2-naphthoquinone3,8-dimethoxynaphthalene-1,2-dione1,2-Naphthoquinone, 3,8-dimethoxy-USPABKMXXHGWFI-UHFFFAOYSA-N3,8-Dimethoxy-1,2-naphthalenedione #1,2-Naphthalenedione, 3,8-dimethoxy-
Database identifiers
- CAS
30839-37-3- PubChem CID
- 577262
- DTXSID
DTXSID50341950- Nikkaji
- J114.164C
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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