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2,6-Dimethyl naphthalene
PHCD compound ID : 5381
Chemical Names :
2,6-Dimethyl naphthalene
Molecular Formula : C12H12
Molecular Weight : 156.0939
More Details :
Names & Synonyms: 2,6-dimethylnaphthalene
Smiles: Cc1ccc2c(c1)ccc(c2)C
InChi : InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3
InChi Key : InChIKey=YGYNBBAUIYTWBF-UHFFFAOYSA-N
PubChem ID : 11387
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.640293
Hydrogen bond donor count : 0 Electric dipole moment : 0.001
XLogP : 4.008 VDW volume : 156.413063
Molecular weight : 156.0939 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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