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ScientificNameLabel
Tridecan-2-ol
PHCD compound ID : 2253
Chemical Names :
Tridecan-2-ol , (2E)-Tridecanol
Molecular Formula : C13H28O1
Molecular Weight : 200.214016
More Details :
Names & Synonyms: tridecan-2-ol , 2-tridecanol
Smiles: CCCCCCCCCCC[C@H](O)C
InChi : InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3/t13-/m1/s1
InChi Key : InChIKey=HKOLRKVMHVYNGG-CYBMUJFWSA-N
PubChem ID : 15449
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 10.484350
Hydrogen bond donor count : 1 Electric dipole moment : 1.819
XLogP : 5.863 VDW volume : 242.194486
Molecular weight : 200.214016 HOMO-LUMO gap : 13.511000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
562.      Journal:'chemija'      Year:'2008'      Volume:'19'      Page:'25'      DOI:''      Title:'Volatile constituents from aerial parts and roots of Cichorium intybus L. (chicory) grown in Lithuania'
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