6,11-Dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione

Substructure search Find similar structures

Basic information

CAS: 58976-97-9
Standard SMILES: O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCCC3
InChIKey: ZXLDPCYWZZGRLB-UHFFFAOYSA-N
Molecular formula: C18H14O4
Average molar mass: 294.3 g/mol
Monoisotopic mass: 294.08920892

Names & identifiers

Preferred name: 6,11-Dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
IUPAC: 6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione

Names & synonyms

58976-97-96,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dioneDTXSID00329304RefChem:305949DTXCID40280405NSC113467CHEMBL5205136SCHEMBL10693025ZXLDPCYWZZGRLB-UHFFFAOYSA-NNSC-1134676,11-dihydroxy-7,8,9,10-tetrahydro-tetracene-5,12-dione6,11-dihydroxy-7,8,9,10-tetrahydro-5,12-naphtacenequinone

Database identifiers

CAS: 58976-97-9
PubChem CID: 419290
DTXSID: DTXSID00329304
ChEMBL: CHEMBL5205136

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 443

Related reactions

1 records

New reaction record

HRID 649278As productuspto-grants-1988_04

Compound notes

Loading…