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ScientificNameLabel
Hexadecenal
PHCD compound ID : 1214
Chemical Names :
Hexadecenal
Molecular Formula : C16H30O1
Molecular Weight : 238.229666
More Details :
Names & Synonyms: hexadec-2-enal , 2-hexadecenal
Smiles: CCCCCCCCCCCCC/C=C/C=O
InChi : InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+
InChi Key : InChIKey=KLJFYXOVGVXZKT-CCEZHUSRSA-N
PubChem ID : 145684
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.089147
Hydrogen bond donor count : 0 Electric dipole moment : 4.082
XLogP : 7.54 VDW volume : 288.809522
Molecular weight : 238.229666 HOMO-LUMO gap : 9.843000
Herb list :
Refrences & Litretures:
  
123.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'1321'      DOI:'10.1080/0972060X.2015.1024445'      Title:'Chemical Composition of Essential Oils from Aerial Parts of Ferula gummosa (Apiaceae) in Jajarm Region, Iran Using Traditional Hydrodistillation and Solvent-Free Microwave Extraction Methods: A Comparative Approach'
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