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ScientificNameLabel
trans-en-yn-Dicycloether
PHCD compound ID : 983
Chemical Names :
trans-en-yn-Dicycloether , trans-ene-yne-Dicycloether
Molecular Formula : C13H12O2
Molecular Weight : 200.08373
More Details :
Names & Synonyms: (2E)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
Smiles: CC#CC#C/C=C/1\C=C[C@]2(O1)CCCO2
InChi : InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m1/s1
InChi Key : InChIKey=WTRXKCNFPMTAJV-BWODNOAJSA-N
PubChem ID : 5352496
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.489863
Hydrogen bond donor count : 0 Electric dipole moment : 2.940
XLogP : 2.884 VDW volume : 210.453043
Molecular weight : 200.08373 HOMO-LUMO gap : 7.800000
Herb list :
Refrences & Litretures:
  
95.      Journal:'Flavour Fragr. J'      Year:'2006'      Volume:'21'      Page:'274'      DOI:'10.1002/ffj.1582'      Title:'Essential oil composition of Matricaria recutita L. from the lower region of the Himalayas'
102.      Journal:'J. Agr. Sci. Tech'      Year:'2011'      Volume:'13'      Page:'79'      DOI:''      Title:'Chemical Compositions of Essential Oils of Artemisia dracunculus L. and Endemic Matricaria chamomilla L. and an Evaluation of their Antioxidative Effects'
104.      Journal:'Journal of Chromatography A'      Year:'2009'      Volume:'1216'      Page:'2768'      DOI:'10.1016/j.chroma.2008.09.109'      Title:'Fast gas chromatography characterisation of puri?ed semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae)'
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