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ScientificNameLabel
(Z)-3-Hex-1-enyl benzoate
PHCD compound ID : 5374
Chemical Names :
(Z)-3-Hex-1-enyl benzoate
Molecular Formula : C13H15O2
Molecular Weight : 203.107205
More Details :
Names & Synonyms: 3-[(Z)-hex-1-enyl]benzoate , 3-[(Z)-hex-1-enyl]benzoate
Smiles: CCCC/C=C\c1cccc(c1)C(=O)[O-]
InChi : InChI=1S/C13H16O2/c1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h5-10H,2-4H2,1H3,(H,14,15)/p-1/b7-5-
InChi Key : InChIKey=KQNYBDACXLEBLR-ALCCZGGFSA-M
PubChem ID : 90487539
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 4.874335
Hydrogen bond donor count : 0 Electric dipole moment : 13.190
XLogP : 3.482 VDW volume : 213.227731
Molecular weight : 203.107205 HOMO-LUMO gap : 8.200000
Herb list :
Refrences & Litretures:
  
884.      Journal:'Fitoterapia'      Year:'2003'      Volume:'74'      Page:'170'      DOI:'10.1016/S0367-326X(02)00318-0'      Title:'Chemical composition and antifungal properties of essential oils of three Pistacia species'
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