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2,6-dihydroxyanthraquinone
ScientificNameLabel
2,6-dihydroxyanthraquinone
PHCD compound ID :
2865
Chemical Names :
2,6-dihydroxyanthraquinone
Molecular Formula :
C14H8O4
Molecular Weight :
240.042259
More Details :
Names & Synonyms:
2,6-dihydroxyanthracene-9,10-dione , 2,6-bis(oxidanyl)anthracene-9,10-dione , 2,6-dihydroxy-9,10-anthraquinone
Smiles:
Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O
InChi :
InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
InChi Key :
InChIKey=APAJFZPFBHMFQR-UHFFFAOYSA-N
PubChem ID :
6776
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
9.750583
Hydrogen bond donor count :
2
Electric dipole moment :
0.005
XLogP :
0.206
VDW volume :
205.900105
Molecular weight :
240.042259
HOMO-LUMO gap :
8.091000
Herb list :
Madder - Rubia tinctorum - روناس
Refrences & Litretures:
360. Journal:'Int J Adv Biol Biom Res' Year:'2013' Volume:'1' Page:'1315' DOI:'' Title:'Rubia tinctorum L. (Rubiaceae) or Madder as one of the living color to dyeing wool'
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