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9-Hexadecenoic acid, methyl ester(9-Hexadecenoic acid)
PHCD compound ID : 2569
Chemical Names :
9-Hexadecenoic acid, methyl ester(9-Hexadecenoic acid)
Molecular Formula : C20H14N1O2S1
Molecular Weight : 332.074525
More Details :
Names & Synonyms: 3-methyl-2-[(E)-styryl]benzo[f][1,3]benzothiazol-3-ium-4,9-dione , 3-methyl-2-[(E)-2-phenylethenyl]benzo[f][1,3]benzothiazol-3-ium-4,9-dione , 3-methyl-2-[(E)-styryl]benzo[f][1,3]benzothiazol-3-ium-4,9-quinone
Smiles: C[n+]1c(/C=C/c2ccccc2)sc2c1C(=O)c1ccccc1C2=O
InChi : InChI=1S/C20H14NO2S/c1-21-16(12-11-13-7-3-2-4-8-13)24-20-17(21)18(22)14-9-5-6-10-15(14)19(20)23/h2-12H,1H3/q+1/b12-11+
InChi Key : InChIKey=PLTUIVAIBCFFCO-VAWYXSNFSA-N
PubChem ID : 10504117
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 12.313661
Hydrogen bond donor count : 0 Electric dipole moment : 2.029
XLogP : 3.628 VDW volume : 291.753738
Molecular weight : 332.074525 HOMO-LUMO gap : 6.736000
Herb list :
Refrences & Litretures:
  
299.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'6972'      DOI:''      Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
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