Basic information
- CAS
2808-46-0- Standard SMILES
COC1=CC(=O)c2c(O)cc(OC)c(O)c2C1=O- InChIKey
OKTQTRCTZAALBF-UHFFFAOYSA-N- Molecular formula
- C12H10O6
- Average molar mass
- 250.2 g/mol
- Monoisotopic mass
- 250.04773803
Overview
5,8-dihydroxy-2,7-dimethoxy-1,4-naphthoquinone is a naphthoquinone.
Names & identifiers
- Preferred name
- 5,8-Dihydroxy-2,7-dimethoxy-1,4-naphthoquinone
- IUPAC
- 5,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione
- English name
- 5,8-Dihydroxy-2,7-dimethoxy-1,4-naphthoquinone
- Molecular formula
- C12H10O6
- Molecular weight
- 250.2
Names & synonyms
Spinochrome M5,8-Dihydroxy-2,7-dimethoxy-1,4-naphthoquinone2808-46-05,8-dihydroxy-2,7-dimethoxynaphthalene-1,4-dione1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-2,7-DIMETHOXY-NSC 305977BRN 1981899ON61OGA286NSC-305977UNII-ON61OGA286DTXSID201823575,8-DIHYDROXY-2,7-DIMETHOXY-1,4-NAPHTHALENEDIONE
Show more names
RefChem:101434DTXCID30104848OKTQTRCTZAALBF-UHFFFAOYSA-N1,4-Naphthalenedione, 5,8-dihydroxy-2,7-dimethoxy-NAPHTHOQUINONE, 5,8-DIHYDROXY-2,7-DIMETHOXYNSC3059771,4-Naphthalenedione,5,8-dihydroxy-2,7-dimethoxy-CHEBI:211270
Database identifiers
- CAS
2808-46-0- PubChem CID
- 17757
- DTXSID
DTXSID20182357- ChEBI
CHEBI:211270- UNII
- ON61OGA286
- Nikkaji
- J61.695H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 401
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 235 · 235-236 °C
- Boiling point
- 579.7 · 579.7±50.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 6.71 · 6.71±0.20(Predicted)
- FDA UNII
- 61 OGA286 · ON61OGA286
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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