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ScientificNameLabel
2-hexanol
PHCD compound ID : 2239
Chemical Names :
Hexan-2-ol , 2-hexanol
Molecular Formula : C6H14O1
Molecular Weight : 102.104465
More Details :
Names & Synonyms: hexan-2-ol , 2-hexanol
Smiles: CCCC[C@H](O)C
InChi : InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m1/s1
InChi Key : InChIKey=QNVRIHYSUZMSGM-ZCFIWIBFSA-N
PubChem ID : 12297
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.422488
Hydrogen bond donor count : 1 Electric dipole moment : 1.971
XLogP : 1.88 VDW volume : 121.122593
Molecular weight : 102.104465 HOMO-LUMO gap : 13.369000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
264.      Journal:'J. Agric. Food Chem'      Year:'1990'      Volume:'38'      Page:'455'      DOI:''      Title:'Headspace Compounds from Flowers of Nicotiana tabacum and Related Species'
339.      Journal:'J. Agric. Food Chem'      Year:'1978'      Volume:'26'      Page:'1290'      DOI:'10.1021/jf60220a012'      Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
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