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ScientificNameLabel
4-Hexenoic acid,3-methyl-2,6-dioxo-
PHCD compound ID : 3996
Chemical Names :
4-Hexenoic acid,3-methyl-2,6-dioxo-
Molecular Formula : C7H8O4
Molecular Weight : 156.042259
More Details :
Names & Synonyms: (E)-3-methyl-2,6-dioxo-hex-4-enoic acid , (E)-3-methyl-2,6-dioxo-4-hexenoic acid , (E)-3-methyl-2,6-dioxohex-4-enoic acid , (E)-3-methyl-2,6-bis(oxidanylidene)hex-4-enoic acid , (E)-2,6-diketo-3-methyl-hex-4-enoic acid
Smiles: O=C/C=C/[C@H](C(=O)C(=O)O)C
InChi : InChI=1S/C7H8O4/c1-5(3-2-4-8)6(9)7(10)11/h2-5H,1H3,(H,10,11)/b3-2+/t5-/m1/s1
InChi Key : InChIKey=OWEJZDDNXJWEGA-WVSAJJKCSA-N
PubChem ID : 6434537
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.404967
Hydrogen bond donor count : 1 Electric dipole moment : 3.779
XLogP : -0.325 VDW volume : 154.243423
Molecular weight : 156.042259 HOMO-LUMO gap : 9.694000
Herb list :
Refrences & Litretures:
  
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
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