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ScientificNameLabel
p-methoxy-beta-Cyclopropylstyrene
PHCD compound ID : 991
Chemical Names :
p-methoxy-beta-Cyclopropylstyrene
Molecular Formula : C12H14O1
Molecular Weight : 174.104465
More Details :
Names & Synonyms: 1-[(E)-2-cyclopropylvinyl]-4-methoxy-benzene , 1-[(E)-2-cyclopropylethenyl]-4-methoxybenzene , 1-[(E)-2-cyclopropylethenyl]-4-methoxy-benzene
Smiles: COc1ccc(cc1)/C=C/C1CC1
InChi : InChI=1S/C12H14O/c1-13-12-8-6-11(7-9-12)5-4-10-2-3-10/h4-10H,2-3H2,1H3/b5-4+
InChi Key : InChIKey=VKBCKSDZZHPFHO-SNAWJCMRSA-N
PubChem ID : 91750028
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.620165
Hydrogen bond donor count : 0 Electric dipole moment : 1.393
XLogP : 3.274 VDW volume : 178.739749
Molecular weight : 174.104465 HOMO-LUMO gap : 8.705000
Herb list :
Refrences & Litretures:
  
97.      Journal:'Pharmaceutical Biology'      Year:'2010'      Volume:'48'      Page:'1280'      DOI:'10.3109/13880201003770143'      Title:'Chemical composition and antibacterial activity of essential oils of Tripleurospermum disciforme in three developmental stages'
98.      Journal:'Chemistry of Natural Compounds'      Year:'2008'      Volume:'44'      Page:'800'      DOI:''      Title:'ESSENTIAL OIL COMPOSITION OF Tripleurospermum disciforme FROM IRAN'
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