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ScientificNameLabel
Methyl P-vinylbenzoate
PHCD compound ID : 4571
Chemical Names :
Methyl P-vinylbenzoate
Molecular Formula : C10H10O2
Molecular Weight : 162.06808
More Details :
Names & Synonyms: methyl 4-vinylbenzoate , 4-ethenylbenzoic acid methyl ester , methyl 4-ethenylbenzoate , 4-vinylbenzoic acid methyl ester
Smiles: COC(=O)c1ccc(cc1)C=C
InChi : InChI=1S/C10H10O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InChi Key : InChIKey=NUMHUJZXKZKUBN-UHFFFAOYSA-N
PubChem ID : 583124
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.762663
Hydrogen bond donor count : 0 Electric dipole moment : 2.362
XLogP : 2.158 VDW volume : 162.658006
Molecular weight : 162.06808 HOMO-LUMO gap : 9.013000
Herb list :
Refrences & Litretures:
  
703.      Journal:'BioMed Research International'      Year:'2013'      Volume:'2013'      Page:'1'      DOI:'10.1155/2013/696835'      Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
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