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2,4-dihydroxy-1,4-benzoxazin-3-one
PHCD compound ID : 2413
Chemical Names :
2,4-dihydroxy-1,4-benzoxazin-3-one
Molecular Formula : C8H7N1O4
Molecular Weight : 181.037508
More Details :
Names & Synonyms: 2,4-dihydroxy-1,4-benzoxazin-3-one , 2,4-bis(oxidanyl)-1,4-benzoxazin-3-one
Smiles: O=C1[C@@H](O)Oc2c(N1O)cccc2
InChi : InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H/t8-/m0/s1
InChi Key : InChIKey=COVOPZQGJGUPEY-QMMMGPOBSA-N
PubChem ID : 28495
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.236931
Hydrogen bond donor count : 2 Electric dipole moment : 3.091
XLogP : -0.058 VDW volume : 146.923251
Molecular weight : 181.037508 HOMO-LUMO gap : 8.637000
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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