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ScientificNameLabel
1-methoxymethylanthraquinone
PHCD compound ID : 2864
Chemical Names :
1-methoxymethylanthraquinone
Molecular Formula : C16H12O3
Molecular Weight : 252.078644
More Details :
Names & Synonyms:
Smiles: COCc1cccc2c1C(=O)c1ccccc1C2=O
InChi : InChI=1S/C16H12O3/c1-19-9-10-5-4-8-13-14(10)16(18)12-7-3-2-6-11(12)15(13)17/h2-8H,9H2,1H3
InChi Key : InChIKey=BGYZUOWGCFOFSF-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.767000
Hydrogen bond donor count : 0 Electric dipole moment : 1.642
XLogP : 0.664 VDW volume : 231.701847
Molecular weight : 252.078644 HOMO-LUMO gap : 8.187000
Herb list :
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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