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ScientificNameLabel
safranol
PHCD compound ID : 4615
Chemical Names :
safranol
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms:
Smiles: OCC1=C(C)C=CCC1(C)C
InChi : InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,11H,6-7H2,1-3H3
InChi Key : InChIKey=JZGBWNUIQHQWAZ-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.828499
Hydrogen bond donor count : 1 Electric dipole moment : 1.676
XLogP : 1.943 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.032000
Herb list :
Refrences & Litretures:
  
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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