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ScientificNameLabel
3-Hexenyl benzoate
PHCD compound ID : 4173
Chemical Names :
3-Hexenyl benzoate
Molecular Formula : C13H16O2
Molecular Weight : 204.11503
More Details :
Names & Synonyms: hex-3-enyl benzoate , benzoic acid hex-3-enyl ester
Smiles: CC/C=C/CCOC(=O)c1ccccc1
InChi : InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3+
InChi Key : InChIKey=BCOXBEHFBZOJJZ-ONEGZZNKSA-N
PubChem ID : 32809
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.588089
Hydrogen bond donor count : 0 Electric dipole moment : 2.257
XLogP : 3.275 VDW volume : 214.54596
Molecular weight : 204.11503 HOMO-LUMO gap : 9.066000
Herb list :
Refrences & Litretures:
  
581.      Journal:'Journal of Food Biochemistry'      Year:'2010'      Volume:'34'      Page:'286'      DOI:'10.1111/j.1745-4514.2009.00330.x'      Title:'EVALUATION OF THE ANTIOXIDANT ACTIVITY OF ESSENTIAL OILS FROM CAPER (CAPPARIS SPINOSA) AND SEA FENNEL (CRITHMUM MARITIMUM) BY DIFFERENT METHODS'
583.      Journal:'Food Chemistry'      Year:'2012'      Volume:'132'      Page:'261'      DOI:'10.1016/j.foodchem.2011.10.074'      Title:'The anticarcinogenic potential of essential oil and aqueous infusion from caper (Capparis spinosa L.)'
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