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ScientificNameLabel
3-Dodecen-1-al
PHCD compound ID : 4299
Chemical Names :
3-Dodecen-1-al
Molecular Formula : C12H22O1
Molecular Weight : 182.167065
More Details :
Names & Synonyms: dodec-3-enal , 3-dodecenal
Smiles: CCCCCCCC/C=C/CC=O
InChi : InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10,12H,2-8,11H2,1H3/b10-9+
InChi Key : InChIKey=HBBONAOKVLYWBI-MDZDMXLPSA-N
PubChem ID : 106523
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.794369
Hydrogen bond donor count : 0 Electric dipole moment : 3.204
XLogP : 5.381 VDW volume : 219.625584
Molecular weight : 182.167065 HOMO-LUMO gap : 10.519000
Herb list :
Refrences & Litretures:
  
625.      Journal:'Food Chemistry'      Year:'2009'      Volume:'113'      Page:'526'      DOI:'10.1016/j.foodchem.2008.07.097'      Title:'Chemical composition and antimicrobial activity of the essential oil of Coriandrum sativum'
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