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ScientificNameLabel
Chrysanthenyl propionate
PHCD compound ID : 748
Chemical Names :
Chrysanthenyl propionate
Molecular Formula : C13H20O2
Molecular Weight : 208.14633
More Details :
Names & Synonyms: (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) propanoate , propanoic acid (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) ester , propionic acid (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) ester
Smiles: CCC(=O)O[C@H]1[C@H]2CC=C([C@@H]1C2(C)C)C
InChi : InChI=1S/C13H20O2/c1-5-10(14)15-12-9-7-6-8(2)11(12)13(9,3)4/h6,9,11-12H,5,7H2,1-4H3/t9-,11+,12+/m1/s1
InChi Key : InChIKey=IRFLZVJYCZYXNP-USWWRNFRSA-N
PubChem ID : 529752
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.062336
Hydrogen bond donor count : 0 Electric dipole moment : 1.792
XLogP : 2.874 VDW volume : 220.998877
Molecular weight : 208.14633 HOMO-LUMO gap : 10.290000
Herb list :
Refrences & Litretures:
  
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
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