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ScientificNameLabel
Ethyl nerolate
PHCD compound ID : 5484
Chemical Names :
Ethyl nerolate
Molecular Formula : C10H20O2
Molecular Weight : 172.14633
More Details :
Names & Synonyms: 3,7-dimethyloctanoic acid , 3,7-dimethylcaprylic acid
Smiles: CC(CCC[C@@H](CC(=O)O)C)C
InChi : InChI=1S/C10H20O2/c1-8(2)5-4-6-9(3)7-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t9-/m0/s1
InChi Key : InChIKey=DGGBNSXAFVNQJU-VIFPVBQESA-N
PubChem ID : 98008
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.987836
Hydrogen bond donor count : 1 Electric dipole moment : 2.107
XLogP : 4.034 VDW volume : 196.4603
Molecular weight : 172.14633 HOMO-LUMO gap : 11.964000
Herb list :
Refrences & Litretures:
  
920.      Journal:'International Journal of Traditional and Natural Medicines'      Year:'2013'      Volume:'2'      Page:'86'      DOI:''      Title:'Composition and Bioactivity of the Essential Oil of Melissa officinalis L. Growing Wild in Tajikistan'
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