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Compound: 5546
Plants: 312
References: 992
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9,17-Octadeca-dienal
ScientificNameLabel
9,17-Octadeca-dienal
PHCD compound ID :
4589
Chemical Names :
9,17-Octadeca-dienal
Molecular Formula :
C18H32O1
Molecular Weight :
264.245316
More Details :
Names & Synonyms:
(9Z)-octadeca-9,17-dienal
Smiles:
C=CCCCCCC/C=C\CCCCCCCC=O
InChi :
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2,9-10,18H,1,3-8,11-17H2/b10-9-
InChi Key :
InChIKey=RXORHYFDDNAOQS-KTKRTIGZSA-N
PubChem ID :
5365667
Rotatable bond count :
15
Rule of five :
2
Hydrogen bond acceptor count :
1
Ionization potential :
9.495409
Hydrogen bond donor count :
0
Electric dipole moment :
2.655
XLogP :
8.24
VDW volume :
320.765033
Molecular weight :
264.245316
HOMO-LUMO gap :
10.345000
Herb list :
Clove - Syzygium aromaticum - میخک، میخک صدپر
Refrences & Litretures:
710. Journal:'Rev. Latinoamer. Qu?m' Year:'2007' Volume:'35' Page:'47' DOI:'' Title:'Chemical Constituents of Clove (Syzygium aromaticum, Fam. Myrtaceae) and their Antioxidant Activity'
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