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ScientificNameLabel
Myrac aldehyde
PHCD compound ID : 1794
Chemical Names :
Myrac aldehyde
Molecular Formula : C13H20O1
Molecular Weight : 192.151415
More Details :
Names & Synonyms: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde , 4-(4-methylpent-3-enyl)-1-cyclohex-3-enecarboxaldehyde
Smiles: O=C[C@H]1CCC(=CC1)CCC=C(C)C
InChi : InChI=1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3/t13-/m1/s1
InChi Key : InChIKey=MQBIZQLCHSZBOI-CYBMUJFWSA-N
PubChem ID : 93199
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.277630
Hydrogen bond donor count : 0 Electric dipole moment : 3.301
XLogP : 3.615 VDW volume : 221.928651
Molecular weight : 192.151415 HOMO-LUMO gap : 10.104000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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