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(Z)-5-Dodecenoic acid
ScientificNameLabel
(Z)-5-Dodecenoic acid
PHCD compound ID :
2562
Chemical Names :
(Z)-5-Dodecenoic acid
Molecular Formula :
C12H22O2
Molecular Weight :
198.16198
More Details :
Names & Synonyms:
(Z)-dodec-5-enoic acid , (Z)-5-dodecenoic acid , lauroleic acid
Smiles:
CCCCCC/C=C\CCCC(=O)O
InChi :
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-
InChi Key :
InChIKey=IJBFSOLHRKELLR-FPLPWBNLSA-N
PubChem ID :
5312378
Rotatable bond count :
9
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.771093
Hydrogen bond donor count :
1
Electric dipole moment :
1.438
XLogP :
4.778
VDW volume :
228.41581
Molecular weight :
198.16198
HOMO-LUMO gap :
10.735000
Herb list :
Flixweed - Descurainia sophia - خاکشیر
Refrences & Litretures:
298. Journal:'Analytical Chemistry Letters' Year:'2012' Volume:'2' Page:'363' DOI:'10.1080/22297928.2012.10662621' Title:'Chemical Composition of Fatty Acid from Different Parts of Descurainia Sophia L. Growing Wild in North of Iran'
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