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ScientificNameLabel
2-acetyl-1-hydroxy-8-methoxy-3-methylnaphthalene
PHCD compound ID : 5556
Chemical Names :
2-acetyl-1-hydroxy-8-methoxy-3-methylnaphthalene
Molecular Formula : C14H14O3
Molecular Weight : 230.094294
More Details :
Names & Synonyms: 1-(1-hydroxy-8-methoxy-3-methyl-2-naphthyl)ethanone , 1-(1-hydroxy-8-methoxy-3-methyl-2-naphthalenyl)ethanone , 1-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)ethanone , 1-(8-methoxy-3-methyl-1-oxidanyl-naphthalen-2-yl)ethanone
Smiles: COc1cccc2c1c(O)c(c(c2)C)C(=O)C
InChi : InChI=1S/C14H14O3/c1-8-7-10-5-4-6-11(17-3)13(10)14(16)12(8)9(2)15/h4-7,16H,1-3H3
InChi Key : InChIKey=VSFUBAXYDFGXOP-UHFFFAOYSA-N
PubChem ID : 10585541
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.658840
Hydrogen bond donor count : 1 Electric dipole moment : 5.592
XLogP : 2.311 VDW volume : 214.739254
Molecular weight : 230.094294 HOMO-LUMO gap : 7.924000
Herb list :
Refrences & Litretures:
  
940.      Journal:'Pakistan Journal of Botany'      Year:'2011'      Volume:'43'      Page:'2311'      DOI:''      Title:'EREMURUS PERSICUS, A NEW SOURCE OF MEDICINALLY IMPORTANT COMPOUNDS'
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