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ScientificNameLabel
phthalideisoquinoline
PHCD compound ID : 3408
Chemical Names :
phthalideisoquinoline
Molecular Formula : C17H13N1O2
Molecular Weight : 129.057849
More Details :
Names & Synonyms: 3H-isobenzofuran-1-one;isoquinoline , 3H-2-benzofuran-1-one;isoquinoline , isoquinoline;phthalide
Smiles: c1ccc2c(c1)cncc2.O=C1OCc2c1cccc2
InChi : InChI=1S/C9H7N.C8H6O2/c1-2-4-9-7-10-6-5-8(9)3-1;9-8-7-4-2-1-3-6(7)5-10-8/h1-7H;1-4H,5H2
InChi Key : InChIKey=DWKUMZAEOMRJQX-UHFFFAOYSA-N
PubChem ID : 66633824
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.309729
Hydrogen bond donor count : 0 Electric dipole moment : 4.841
XLogP : 0.89 VDW volume : 115.52187
Molecular weight : 129.057849 HOMO-LUMO gap : 8.415000
Herb list :
Refrences & Litretures:
  
472.      Journal:'Phytochem. Anal'      Year:'2002'      Volume:'13'      Page:'363'      DOI:'10.1002/pca.669'      Title:'Direct Determination of Alkaloid Contents in Fumaria Species by GC-MS'
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