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ScientificNameLabel
Caryophyllen (1l)
PHCD compound ID : 4340
Chemical Names :
Caryophyllen (1l)
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (3Z,8Z)-4,8,11,11-tetramethylbicyclo[7.2.0]undeca-3,8-diene
Smiles: CC1=CC[C@@H]2C(=C(CCC1)C)CC2(C)C
InChi : InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h8,14H,5-7,9-10H2,1-4H3/b11-8-,13-12-/t14-/m1/s1
InChi Key : InChIKey=PUCDJLCKNQMRSC-HEWOHFHYSA-N
PubChem ID : 5369754
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.883036
Hydrogen bond donor count : 0 Electric dipole moment : 0.426
XLogP : 5.448 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.256000
Herb list :
Refrences & Litretures:
  
636.      Journal:'Journal of Essential Oil Research'      Year:'2013'      Volume:'25'      Page:'55'      DOI:'10.1080/10412905.2012.751555'      Title:'Comparison of microwave-assisted distillation and conventional hydrodistillation in the essential oil extraction of ?owers Rosa damascena Mill'
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