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1,3-Dimethoxy benzene
PHCD compound ID : 2700
Chemical Names :
1,3-Dimethoxy benzene
Molecular Formula : C8H10O2
Molecular Weight : 138.06808
More Details :
Names & Synonyms: 1,3-dimethoxybenzene
Smiles: COc1cccc(c1)OC
InChi : InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
InChi Key : InChIKey=DPZNOMCNRMUKPS-UHFFFAOYSA-N
PubChem ID : 9025
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.902848
Hydrogen bond donor count : 0 Electric dipole moment : 1.835
XLogP : 1.296 VDW volume : 133.338954
Molecular weight : 138.06808 HOMO-LUMO gap : 9.225000
Herb list :
Refrences & Litretures:
  
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
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