4-Hydroxy-6,7-dimethoxynaphthalene-1,2-dione

HCID 280209

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Basic information

CAS: 17173-25-0
Standard SMILES: COc1cc2c(cc1OC)C(O)=CC(=O)C2=O
InChIKey: WSRTUVPRPAQBLP-UHFFFAOYSA-N
Molecular formula: C12H10O5
Average molar mass: 234.2 g/mol
Monoisotopic mass: 234.05282342

Names & identifiers

Preferred name: 4-Hydroxy-6,7-dimethoxynaphthalene-1,2-dione
IUPAC: 4-hydroxy-6,7-dimethoxynaphthalene-1,2-dione

Names & synonyms

17173-25-04-hydroxy-6,7-dimethoxynaphthalene-1,2-dioneMLS0029201221,4-Naphthalenedione, 2-hydroxy-6,7-dimethoxy-NSC131647SCHEMBL973797CHEMBL1900167DTXSID90299623NSC-131647SMR001797719

Database identifiers

CAS: 17173-25-0
PubChem CID: 280209
DTXSID: DTXSID90299623
ChEMBL: CHEMBL1900167
Nikkaji: J1.008.362A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 373

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