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ScientificNameLabel
precocene I
PHCD compound ID : 148
Chemical Names :
precocene I
Molecular Formula : C12H14O2
Molecular Weight : 190.09938
More Details :
Names & Synonyms: 7-methoxy-2,2-dimethyl-chromene , 7-methoxy-2,2-dimethyl-1-benzopyran , 7-methoxy-2,2-dimethylchromene
Smiles: COc1ccc2c(c1)OC(C=C2)(C)C
InChi : InChI=1S/C12H14O2/c1-12(2)7-6-9-4-5-10(13-3)8-11(9)14-12/h4-8H,1-3H3
InChi Key : InChIKey=CPTJXGLQLVPIGP-UHFFFAOYSA-N
PubChem ID : 28619
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.383620
Hydrogen bond donor count : 0 Electric dipole moment : 1.460
XLogP : 2.14 VDW volume : 187.529975
Molecular weight : 190.09938 HOMO-LUMO gap : 8.317000
Herb list :
Refrences & Litretures:
  
8.      Journal:'Rev Bras Farmacogn'      Year:'2013'      Volume:'23'      Page:'877'      DOI:''      Title:'Chemical composition, antischistosomal and cytotoxic effects of the essential oil of Lavandula angustifolia grown in Southeastern Brazil'
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