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Neryl propanoate
PHCD compound ID : 911
Chemical Names :
Neryl propanoate
Molecular Formula : C13H22O2
Molecular Weight : 210.16198
More Details :
Names & Synonyms: [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate , propanoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester , propionic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester
Smiles: CCC(=O)OC/C=C(\CCC=C(C)C)/C
InChi : InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-
InChi Key : InChIKey=BYCHQEILESTMQU-XFXZXTDPSA-N
PubChem ID : 5365982
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.952211
Hydrogen bond donor count : 0 Electric dipole moment : 1.117
XLogP : 3.517 VDW volume : 243.075336
Molecular weight : 210.16198 HOMO-LUMO gap : 9.918000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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