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ScientificNameLabel
3-Pentanone
PHCD compound ID : 595
Chemical Names :
3-Pentanone , Methylbutanone , Pentan-3-one
Molecular Formula : C5H10O1
Molecular Weight : 86.073165
More Details :
Names & Synonyms: pentan-3-one , 3-pentanone
Smiles: CCC(=O)CC
InChi : InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChi Key : InChIKey=FDPIMTJIUBPUKL-UHFFFAOYSA-N
PubChem ID : 7288
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.970775
Hydrogen bond donor count : 0 Electric dipole moment : 2.921
XLogP : 0.691 VDW volume : 101.19015
Molecular weight : 86.073165 HOMO-LUMO gap : 10.981000
Herb list :
Refrences & Litretures:
  
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
339.      Journal:'J. Agric. Food Chem'      Year:'1978'      Volume:'26'      Page:'1290'      DOI:'10.1021/jf60220a012'      Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
587.      Journal:'Leffingwell Reports'      Year:'2015'      Volume:'7'      Page:'1'      DOI:''      Title:'Identification of the Volatile Constituents of Raw Pumpkin (Cucurbita pepo L.) by Dynamic Headspace Analyses'
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