Skip Navigation Links
ScientificNameLabel
3,5-Dimethoxytoluene
PHCD compound ID : 4507
Chemical Names :
3,5-Dimethoxytoluene
Molecular Formula : C9H12O2
Molecular Weight : 152.08373
More Details :
Names & Synonyms: 1,3-dimethoxy-5-methyl-benzene , 1,3-dimethoxy-5-methylbenzene
Smiles: COc1cc(OC)cc(c1)C
InChi : InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
InChi Key : InChIKey=RIZBLVRXRWHLFA-UHFFFAOYSA-N
PubChem ID : 77844
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.767611
Hydrogen bond donor count : 0 Electric dipole moment : 1.373
XLogP : 1.688 VDW volume : 150.634939
Molecular weight : 152.08373 HOMO-LUMO gap : 9.221000
Herb list :
Refrences & Litretures:
  
667.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'462'      DOI:'10.1002/ffj.1124'      Title:'Volatile constituents of Boswellia serrata Roxb. (Burseraceae) bark'
925.      Journal:'Annali di Chimica'      Year:'2007'      Volume:'97'      Page:'837'      DOI:''      Title:'CHEMICAL COMPOSITION AND ANTIMICROBIAL ACTIVITY OF SOME OLEOGUM RESIN ESSENTIAL OILS FROM BOSWELLIA SPP. (BURSERACEAE)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us