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ScientificNameLabel
Coumaran
PHCD compound ID : 1233
Chemical Names :
2,3-Dihydrobenzofuran , Coumaran
Molecular Formula : C8H8O1
Molecular Weight : 120.057515
More Details :
Names & Synonyms: 2,3-dihydrobenzofuran , 2,3-dihydro-1-benzofuran , coumaran
Smiles: c1ccc2c(c1)OCC2
InChi : InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
InChi Key : InChIKey=HBEDSQVIWPRPAY-UHFFFAOYSA-N
PubChem ID : 10329
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.833236
Hydrogen bond donor count : 0 Electric dipole moment : 1.812
XLogP : 1.068 VDW volume : 112.192269
Molecular weight : 120.057515 HOMO-LUMO gap : 9.002000
Herb list :
Refrences & Litretures:
  
129.      Journal:'Natural Product Research'      Year:'2011'      Volume:'25'      Page:'789'      DOI:'10.1080/14786410902900085'      Title:'Chemical composition and bioactivity of Citrus medica L. cv. Diamante essential oil obtained by hydrodistillation, cold-pressing and supercritical carbon dioxide extraction'
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
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