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ScientificNameLabel
n-Heptadecanal
PHCD compound ID : 2708
Chemical Names :
n-Heptadecanal
Molecular Formula : C17H34O1
Molecular Weight : 254.260966
More Details :
Names & Synonyms: heptadecanal
Smiles: CCCCCCCCCCCCCCCCC=O
InChi : InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
InChi Key : InChIKey=PIYDVAYKYBWPPY-UHFFFAOYSA-N
PubChem ID : 71552
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 10.146884
Hydrogen bond donor count : 0 Electric dipole moment : 2.846
XLogP : 8.553 VDW volume : 308.741965
Molecular weight : 254.260966 HOMO-LUMO gap : 10.862000
Herb list :
Refrences & Litretures:
  
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
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