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2,4-Dodecadienal(E,E)
ScientificNameLabel
2,4-Dodecadienal(E,E)
PHCD compound ID :
547
Chemical Names :
2,4-Dodecadienal(E,E)
Molecular Formula :
C12H20O1
Molecular Weight :
180.151415
More Details :
Names & Synonyms:
(2E,4E)-dodeca-2,4-dienal
Smiles:
CCCCCCC/C=C/C=C/C=O
InChi :
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+
InChi Key :
InChIKey=QKTZBZWNADPFOL-BNFZFUHLSA-N
PubChem ID :
5367530
Rotatable bond count :
8
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.657537
Hydrogen bond donor count :
0
Electric dipole moment :
4.865
XLogP :
4.82
VDW volume :
216.989125
Molecular weight :
180.151415
HOMO-LUMO gap :
8.878000
Herb list :
Fig - Ficus carica - انجیر، شال انجیر
Refrences & Litretures:
34. Journal:'J Sci Food Agric' Year:'2014' Volume:'94' Page:'2179' DOI:'10.1002/jsfa.6533' Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
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