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ScientificNameLabel
2-Ethyl-1,4benzodioxin
PHCD compound ID : 5222
Chemical Names :
2-Ethyl-1,4benzodioxin
Molecular Formula : C10H10O2
Molecular Weight : 162.06808
More Details :
Names & Synonyms: 3-ethyl-1,4-benzodioxine , 3-ethyl-1,4-benzodioxin
Smiles: CCC1=COc2c(O1)cccc2
InChi : InChI=1S/C10H10O2/c1-2-8-7-11-9-5-3-4-6-10(9)12-8/h3-7H,2H2,1H3
InChi Key : InChIKey=BEQHHVYDTSFCFX-UHFFFAOYSA-N
PubChem ID : 14293567
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.296113
Hydrogen bond donor count : 0 Electric dipole moment : 1.159
XLogP : 1.851 VDW volume : 152.938006
Molecular weight : 162.06808 HOMO-LUMO gap : 8.312000
Herb list :
Refrences & Litretures:
  
825.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'498'      DOI:'10.1080/0972060X.2011.10643608'      Title:'Chemical Composition and Antimicrobial Activity of Chenopodium botrys L. Essential Oil'
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