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ScientificNameLabel
cumene
PHCD compound ID : 2214
Chemical Names :
cumene
Molecular Formula : C9H12
Molecular Weight : 120.0939
More Details :
Names & Synonyms: cumene , propan-2-ylbenzene
Smiles: CC(c1ccccc1)C
InChi : InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChi Key : InChIKey=RWGFKTVRMDUZSP-UHFFFAOYSA-N
PubChem ID : 7406
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.436570
Hydrogen bond donor count : 0 Electric dipole moment : 0.596
XLogP : 3.442 VDW volume : 133.054486
Molecular weight : 120.0939 HOMO-LUMO gap : 9.790000
Herb list :
Refrences & Litretures:
  
261.      Journal:'Herba Polonica'      Year:'2009'      Volume:'55'      Page:'153'      DOI:''      Title:'Contents and chemical composition of essential oils from wild strawberry (Fragaria vesca L.)'
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
743.      Journal:'Research Journal of Pharmacognosy'      Year:'2014'      Volume:'1'      Page:'11'      DOI:''      Title:'Antioxidant and antibacterial activities of the essential oils and extracts of Dorema ammoniacum roots and aerial parts'
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
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