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ScientificNameLabel
2-Dodecanol
PHCD compound ID : 2252
Chemical Names :
Dodecan-2-ol , 2-Dodecanol
Molecular Formula : C12H26O1
Molecular Weight : 186.198365
More Details :
Names & Synonyms: dodecan-2-ol , 2-dodecanol
Smiles: CCCCCCCCCC[C@H](O)C
InChi : InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChi Key : InChIKey=XSWSEQPWKOWORN-GFCCVEGCSA-N
PubChem ID : 25045
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 10.469197
Hydrogen bond donor count : 1 Electric dipole moment : 1.905
XLogP : 5.294 VDW volume : 224.898501
Molecular weight : 186.198365 HOMO-LUMO gap : 13.533000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
647.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2003'      Volume:'2'      Page:'245'      DOI:''      Title:'Composition of the Essential Oil of the Root of Heracleum persicum from Iran'
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