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ScientificNameLabel
kessyl alcohol
PHCD compound ID : 3317
Chemical Names :
kessyl alcohol
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms:
Smiles: C[C@@H]1C[C@H]([C@H]2[C@H]1C[C@H]1CC[C@]2(C)OC1(C)C)O
InChi : InChI=1S/C15H26O2/c1-9-7-12(16)13-11(9)8-10-5-6-15(13,4)17-14(10,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,15+/m1/s1
InChi Key : InChIKey=ZADVMZUKWWMSLQ-CPZNCEPXSA-N
PubChem ID : 318771
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.330117
Hydrogen bond donor count : 1 Electric dipole moment : 3.011
XLogP : 3.043 VDW volume : 248.507305
Molecular weight : 238.19328 HOMO-LUMO gap : 12.136000
Herb list :
Refrences & Litretures:
  
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
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