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ScientificNameLabel
5-Hydroxyferulic acid
PHCD compound ID : 2394
Chemical Names :
5-Hydroxyferulic acid
Molecular Formula : C10H10O5
Molecular Weight : 210.052823
More Details :
Names & Synonyms: (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enoic acid , (E)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoic acid , (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid , (E)-3-[3-methoxy-4,5-bis(oxidanyl)phenyl]prop-2-enoic acid , (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)acrylic acid
Smiles: COc1cc(/C=C/C(=O)O)cc(c1O)O
InChi : InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+
InChi Key : InChIKey=YFXWTVLDSKSYLW-NSCUHMNNSA-N
PubChem ID : 446834
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.945952
Hydrogen bond donor count : 3 Electric dipole moment : 2.728
XLogP : 1.128 VDW volume : 189.028686
Molecular weight : 210.052823 HOMO-LUMO gap : 8.021000
Herb list :
Refrences & Litretures:
  
268.      Journal:'Allelopathy Journal'      Year:'2009'      Volume:'24'      Page:'225'      DOI:''      Title:'Allelopathic Plants. 19. Barley (Hordeum vulgare L)'
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