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Compound: 5546
Plants: 312
References: 992
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4-vinylphenol
ScientificNameLabel
4-vinylphenol
PHCD compound ID :
678
Chemical Names :
4-vinylphenol
Molecular Formula :
C8H8O1
Molecular Weight :
120.057515
More Details :
Names & Synonyms:
4-vinylphenol , 4-ethenylphenol
Smiles:
C=Cc1ccc(cc1)O
InChi :
InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InChi Key :
InChIKey=FUGYGGDSWSUORM-UHFFFAOYSA-N
PubChem ID :
62453
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
8.931671
Hydrogen bond donor count :
1
Electric dipole moment :
1.330
XLogP :
1.801
VDW volume :
121.912269
Molecular weight :
120.057515
HOMO-LUMO gap :
8.868000
Herb list :
Egyptian willow - Salix aegyptiaca - بيدمشك
Grape, Vine grape - Vitis vinifera - انگور
Strawberry - Fragaria vesca - توت فرنگی
Refrences & Litretures:
40. Journal:'J. Agric. Food Chem' Year:'2003' Volume:'51' Page:'5408' DOI:'10.1021/jf030087i' Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
183. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'543' DOI:'10.1080/0972060X.2011.10643971' Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
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