vinyl benzoate

ScientificNameLabel

vinyl benzoate
PHCD compound ID :	5270
Chemical Names :	vinyl benzoate
Molecular Formula :	C9H8O2
Molecular Weight :	148.052429

More Details :

Names & Synonyms:	vinyl benzoate , benzoic acid ethenyl ester , ethenyl benzoate , benzoic acid vinyl ester
Smiles:	C=COC(=O)c1ccccc1
InChi :	InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InChi Key :	InChIKey=KOZCZZVUFDCZGG-UHFFFAOYSA-N
PubChem ID :	13037

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.975456
Hydrogen bond donor count :	0	Electric dipole moment :	2.419
XLogP :	1.756	VDW volume :	145.362022
Molecular weight :	148.052429	HOMO-LUMO gap :	9.188000

Herb list :

- Ephedra nebrodensis - ریش بز، ارمک

Refrences & Litretures:


843. Journal:'Journal of Essential Oil Research' Year:'2010' Volume:'22' Page:'354' DOI:'10.1080/10412905.2010.9700344' Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'

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