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ScientificNameLabel
acora-7(11),9-dien-2-one
PHCD compound ID : 480
Chemical Names :
acora-7(11),9-dien-2-one
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms:
Smiles: C[C@H]1CC[C@@]2(C(=O)C1)C(=CCC2=C(C)C)C
InChi : InChI=1S/C15H22O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)9-14(15)16/h5,11H,6-9H2,1-4H3/t11-,15+/m0/s1
InChi Key : InChIKey=UVBXVBITCCEKGC-XHDPSFHLSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.831867
Hydrogen bond donor count : 0 Electric dipole moment : 3.193
XLogP : 3.617 VDW volume : 244.164161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.902000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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