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1,3-Dimethyl naphthalene
PHCD compound ID : 5382
Chemical Names :
1,3-Dimethyl naphthalene
Molecular Formula : C12H12
Molecular Weight : 156.0939
More Details :
Names & Synonyms: 1,3-dimethylnaphthalene
Smiles: Cc1cc2ccccc2c(c1)C
InChi : InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
InChi Key : InChIKey=QHJMFSMPSZREIF-UHFFFAOYSA-N
PubChem ID : 11327
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.621054
Hydrogen bond donor count : 0 Electric dipole moment : 0.842
XLogP : 4.008 VDW volume : 156.413063
Molecular weight : 156.0939 HOMO-LUMO gap : 8.255000
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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