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2,3,5-Trimethyl naphthalene
PHCD compound ID : 5383
Chemical Names :
2,3,5-Trimethyl naphthalene
Molecular Formula : C13H14
Molecular Weight : 170.10955
More Details :
Names & Synonyms: 1,6,7-trimethylnaphthalene
Smiles: Cc1cc2c(cc1C)cccc2C
InChi : InChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3
InChi Key : InChIKey=JBXULKRNHAQMAS-UHFFFAOYSA-N
PubChem ID : 16732
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.539188
Hydrogen bond donor count : 0 Electric dipole moment : 1.507
XLogP : 4.4 VDW volume : 173.709048
Molecular weight : 170.10955 HOMO-LUMO gap : 8.248000
Herb list :
Refrences & Litretures:
  
888.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1996'      Volume:'11'      Page:'57'      DOI:'10.1002/(SICI)1099-1026(199601)11:1<57::AID-FFJ549>3.0.CO;2-K'      Title:'Volatile Components of the Rhizomes of Rheum palmatum L'
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