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ScientificNameLabel
2-Methyl 5-hexenenitrile
PHCD compound ID : 3636
Chemical Names :
2-Methyl 5-hexenenitrile
Molecular Formula : C7H11N1
Molecular Weight : 109.089149
More Details :
Names & Synonyms: 2-methylhex-5-enenitrile , 2-methyl-5-hexenenitrile
Smiles: C[C@@H](C#N)CCC=C
InChi : InChI=1S/C7H11N/c1-3-4-5-7(2)6-8/h3,7H,1,4-5H2,2H3/t7-/m1/s1
InChi Key : InChIKey=WSLQODBTEPJISE-SSDOTTSWSA-N
PubChem ID : 543258
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.354712
Hydrogen bond donor count : 0 Electric dipole moment : 3.924
XLogP : 1.918 VDW volume : 132.715735
Molecular weight : 109.089149 HOMO-LUMO gap : 11.286000
Herb list :
Refrences & Litretures:
  
508.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'158'      DOI:'10.1002/ffj.1335'      Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'
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