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Acetic acid,3-cyclohex-1-enyl-1-methylprop-2-ynyl ester
PHCD compound ID : 3112
Chemical Names :
Acetic acid,3-cyclohex-1-enyl-1-methylprop-2-ynyl ester
Molecular Formula : C12H16O2
Molecular Weight : 192.11503
More Details :
Names & Synonyms: [3-(cyclohexen-1-yl)-1-methyl-prop-2-ynyl] acetate , acetic acid 4-(1-cyclohexenyl)but-3-yn-2-yl ester , 4-(cyclohexen-1-yl)but-3-yn-2-yl acetate , 4-(cyclohexen-1-yl)but-3-yn-2-yl ethanoate , acetic acid [3-(cyclohexen-1-yl)-1-methyl-prop-2-ynyl] ester
Smiles: CC(=O)O[C@H](C#CC1=CCCCC1)C
InChi : InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h6,10H,3-5,7H2,1-2H3/t10-/m0/s1
InChi Key : InChIKey=HWUVWTVJCIZTMA-JTQLQIEISA-N
PubChem ID : 585074
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.127828
Hydrogen bond donor count : 0 Electric dipole moment : 2.264
XLogP : 3.638 VDW volume : 210.786434
Molecular weight : 192.11503 HOMO-LUMO gap : 9.387000
Herb list :
Refrences & Litretures:
  
414.      Journal:'Veterinary Research Forum'      Year:'2011'      Volume:'2'      Page:'87'      DOI:''      Title:'Effects of Bunium persicum (Boiss.) Essential Oil on the Contractile Responses of Smooth Muscle (An in vitro Study)'
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