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ScientificNameLabel
(Z)-3-Hexanal
PHCD compound ID : 742
Chemical Names :
(Z)-3-Hexanal , (Z)-3-Hexenal , cis-Hex-3-enal , cis-3-hexenal
Molecular Formula : C6H10O1
Molecular Weight : 98.073165
More Details :
Names & Synonyms: (Z)-hex-3-enal , (Z)-3-hexenal
Smiles: CC/C=C\CC=O
InChi : InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
InChi Key : InChIKey=GXANMBISFKBPEX-ARJAWSKDSA-N
PubChem ID : 643941
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.799191
Hydrogen bond donor count : 0 Electric dipole moment : 3.365
XLogP : 1.967 VDW volume : 115.849676
Molecular weight : 98.073165 HOMO-LUMO gap : 10.466000
Herb list :
Refrences & Litretures:
  
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
171.      Journal:'Med Aromat Plants'      Year:'2012'      Volume:'1'      Page:'1000e134'      DOI:'10.4172/2167-0412.1000e134'      Title:'Chemical Composition of the Essential Oil of Quince (Cydonia Oblonga Miller) Leaves'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
263.      Journal:'Z Lebensm Unters Forsch A'      Year:'1997'      Volume:'205'      Page:'218'      DOI:''      Title:'Analysis of strawberry flavour - discrimination of aroma types by quantification of volatile compounds'
464.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'7198'      DOI:'J. Agric. Food Chem'      Title:'Developmental and Varietal Differences in Volatile Ester Formation and Acetyl-CoA: Alcohol Acetyl Transferase Activities in Apple (Malus domestica Borkh.) Fruit'
587.      Journal:'Leffingwell Reports'      Year:'2015'      Volume:'7'      Page:'1'      DOI:''      Title:'Identification of the Volatile Constituents of Raw Pumpkin (Cucurbita pepo L.) by Dynamic Headspace Analyses'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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