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ScientificNameLabel
2-Methylpentanal
PHCD compound ID : 4594
Chemical Names :
2-Methylpentanal
Molecular Formula : C6H12O1
Molecular Weight : 100.088815
More Details :
Names & Synonyms: 2-methylpentanal , 2-methylvaleraldehyde
Smiles: C[C@@H](C=O)CCC
InChi : InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChi Key : InChIKey=FTZILAQGHINQQR-ZCFIWIBFSA-N
PubChem ID : 31245
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.000554
Hydrogen bond donor count : 0 Electric dipole moment : 3.180
XLogP : 2.018 VDW volume : 118.486134
Molecular weight : 100.088815 HOMO-LUMO gap : 10.747000
Herb list :
Refrences & Litretures:
  
711.      Journal:'Food Chemistry'      Year:'2001'      Volume:'74'      Page:'443'      DOI:''      Title:'Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry]'
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