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ScientificNameLabel
10-(2-oxopropyl)-alpha-Pinene,
PHCD compound ID : 3113
Chemical Names :
10-(2-oxopropyl)-alpha-Pinene,
Molecular Formula : C13H20O1
Molecular Weight : 192.151415
More Details :
Names & Synonyms: 4-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)butan-2-one , 4-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)-2-butanone
Smiles: CC(=O)CCC1=CC[C@H]2C[C@@H]1C2(C)C
InChi : InChI=1S/C13H20O/c1-9(14)4-5-10-6-7-11-8-12(10)13(11,2)3/h6,11-12H,4-5,7-8H2,1-3H3/t11-,12-/m0/s1
InChi Key : InChIKey=LHWRJGXMTVYJHO-RYUDHWBXSA-N
PubChem ID : 561018
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.233085
Hydrogen bond donor count : 0 Electric dipole moment : 3.483
XLogP : 3.601 VDW volume : 212.208651
Molecular weight : 192.151415 HOMO-LUMO gap : 10.192000
Herb list :
Refrences & Litretures:
  
414.      Journal:'Veterinary Research Forum'      Year:'2011'      Volume:'2'      Page:'87'      DOI:''      Title:'Effects of Bunium persicum (Boiss.) Essential Oil on the Contractile Responses of Smooth Muscle (An in vitro Study)'
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