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ScientificNameLabel
6-Methyl-2-heptanone
PHCD compound ID : 3617
Chemical Names :
6-Methyl-2-heptanone
Molecular Formula : C8H16O1
Molecular Weight : 128.120115
More Details :
Names & Synonyms: 6-methylheptan-2-one , 6-methyl-2-heptanone
Smiles: CC(CCCC(=O)C)C
InChi : InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
InChi Key : InChIKey=DPLGXGDPPMLJHN-UHFFFAOYSA-N
PubChem ID : 13572
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.081953
Hydrogen bond donor count : 0 Electric dipole moment : 3.040
XLogP : 2.653 VDW volume : 153.078104
Molecular weight : 128.120115 HOMO-LUMO gap : 11.053000
Herb list :
Refrences & Litretures:
  
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
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