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ScientificNameLabel
3-(2-Oxocyclopentyl) propanal ethylene ketal
PHCD compound ID : 1915
Chemical Names :
3-(2-Oxocyclopentyl) propanal ethylene ketal
Molecular Formula : C10H16O3
Molecular Weight : 184.109944
More Details :
Names & Synonyms:
Smiles: O=C1CCC[C@H]1CCC1OCCO1
InChi : InChI=1S/C10H16O3/c11-9-3-1-2-8(9)4-5-10-12-6-7-13-10/h8,10H,1-7H2/t8-/m0/s1
InChi Key : InChIKey=YMFHYTPMWATDBX-QMMMGPOBSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.890110
Hydrogen bond donor count : 0 Electric dipole moment : 4.610
XLogP : 0.521 VDW volume : 180.537609
Molecular weight : 184.109944 HOMO-LUMO gap : 10.851000
Herb list :
Refrences & Litretures:
  
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
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