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2-Methylphenanthro [3,4-d] [1,3]-oxazol-10-ol
PHCD compound ID : 2611
Chemical Names :
2-Methylphenanthro [3,4-d] [1,3]-oxazol-10-ol
Molecular Formula : C16H11N1O2
Molecular Weight : 249.078979
More Details :
Names & Synonyms: 2-methylnaphtho[2,1-g][1,3]benzoxazol-10-ol , 2-methyl-10-naphtho[2,1-g][1,3]benzoxazolol
Smiles: Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C
InChi : InChI=1S/C16H11NO2/c1-9-17-14-7-5-11-3-2-10-4-6-12(18)8-13(10)15(11)16(14)19-9/h2-8,18H,1H3
InChi Key : InChIKey=HFAXTAZPUOOQTA-UHFFFAOYSA-N
PubChem ID : 152163
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.524238
Hydrogen bond donor count : 1 Electric dipole moment : 3.210
XLogP : 2.035 VDW volume : 199.751922
Molecular weight : 249.078979 HOMO-LUMO gap : 7.608000
Herb list :
Refrences & Litretures:
  
303.      Journal:'Chemistry of Natural Compounds'      Year:'2013'      Volume:'49'      Page:'557'      DOI:''      Title:'CHEMICAL COMPOSITION OF MACERATED PLANT PARTS OF WHITE MUSTARD Sinapis alba'
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