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ScientificNameLabel
benzyl cyanide
PHCD compound ID : 4172
Chemical Names :
Benzeneacetonitrile , phenylacetonitrile , benzyl cyanide
Molecular Formula : C8H7N1
Molecular Weight : 117.057849
More Details :
Names & Synonyms: 2-phenylacetonitrile , 2-phenylethanenitrile
Smiles: N#CCc1ccccc1
InChi : InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChi Key : InChIKey=SUSQOBVLVYHIEX-UHFFFAOYSA-N
PubChem ID : 8794
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.020764
Hydrogen bond donor count : 0 Electric dipole moment : 3.811
XLogP : 1.364 VDW volume : 121.482344
Molecular weight : 117.057849 HOMO-LUMO gap : 9.841000
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.)'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
753.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'508'      DOI:'org/10.1080/10412905.2006.9699155'      Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'
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