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3,5-Heptadienal,2-ethylidene-6-methyl
ScientificNameLabel
3,5-Heptadienal,2-ethylidene-6-methyl
PHCD compound ID :
3902
Chemical Names :
3,5-Heptadienal,2-ethylidene-6-methyl
Molecular Formula :
C10H14O1
Molecular Weight :
150.104465
More Details :
Names & Synonyms:
2-ethylidene-6-methyl-hepta-3,5-dienal , 2-ethylidene-6-methylhepta-3,5-dienal
Smiles:
C/C=C(/C=C/C=C(C)C)\C=O
InChi :
InChI=1S/C10H14O/c1-4-10(8-11)7-5-6-9(2)3/h4-8H,1-3H3/b7-5+,10-4-
InChi Key :
InChIKey=GNLLTRIMWRZWBF-SXHNFITHSA-N
PubChem ID :
572127
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
8.637607
Hydrogen bond donor count :
0
Electric dipole moment :
4.018
XLogP :
2.741
VDW volume :
179.760697
Molecular weight :
150.104465
HOMO-LUMO gap :
8.309000
Herb list :
Jujube - Ziziphus jujuba - عناب
Refrences & Litretures:
532. Journal:'J PURE APPL MICROBIO' Year:'2013' Volume:'7' Page:'379' DOI:'' Title:'Chemical Composition and Antimicrobial Activity of Ziziphus jujuba Seeds Extract'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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