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Compound: 5546
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Cyclohexanecarboxylic acid,ethenyl ester
ScientificNameLabel
Cyclohexanecarboxylic acid,ethenyl ester
PHCD compound ID :
5451
Chemical Names :
Cyclohexanecarboxylic acid,ethenyl ester
Molecular Formula :
C9H14O2
Molecular Weight :
154.09938
More Details :
Names & Synonyms:
vinyl cyclohexanecarboxylate , cyclohexanecarboxylic acid ethenyl ester , ethenyl cyclohexanecarboxylate , cyclohexanecarboxylic acid vinyl ester
Smiles:
C=COC(=O)C1CCCCC1
InChi :
InChI=1S/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChi Key :
InChIKey=JZRGFKQYQJKGAK-UHFFFAOYSA-N
PubChem ID :
20985
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.948342
Hydrogen bond donor count :
0
Electric dipole moment :
2.111
XLogP :
2.607
VDW volume :
164.171398
Molecular weight :
154.09938
HOMO-LUMO gap :
10.525000
Herb list :
Wild olive, Russian olive, Oleaster - Elaeagnus angustifolia - سنجد
Refrences & Litretures:
908. Journal:'Journal of Herbal Drugs' Year:'2015' Volume:'6' Page:'109' DOI:'' Title:'Essential oil composition of Elaeagnus angustifolia and Elaeagnus orientalis from Sistan and Baluchestan, Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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