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ScientificNameLabel
Styrene
PHCD compound ID : 72
Chemical Names :
Styrene
Molecular Formula : C8H8
Molecular Weight : 104.0626
More Details :
Names & Synonyms: styrene , ethenylbenzene
Smiles: C=Cc1ccccc1
InChi : InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChi Key : InChIKey=PPBRXRYQALVLMV-UHFFFAOYSA-N
PubChem ID : 7501
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.371801
Hydrogen bond donor count : 0 Electric dipole moment : 0.085
XLogP : 2.937 VDW volume : 113.122042
Molecular weight : 104.0626 HOMO-LUMO gap : 9.307000
Herb list :
Refrences & Litretures:
  
4.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'850'      DOI:'10.1080/0972060X.2013.861993'      Title:'Chemical Composition of Peganum harmala Smoke and Volatile Oil'
344.      Journal:'Food Control'      Year:'2014'      Volume:'35'      Page:'109'      DOI:'10.1016/j.foodcont.2013.06.056'      Title:'Chemical composition, antibacterial activity and mechanism of action of essential oil from seeds of fennel (Foeniculum vulgare Mill.)'
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
884.      Journal:'Fitoterapia'      Year:'2003'      Volume:'74'      Page:'170'      DOI:'10.1016/S0367-326X(02)00318-0'      Title:'Chemical composition and antifungal properties of essential oils of three Pistacia species'
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