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ScientificNameLabel
4-pentènenitrile
PHCD compound ID : 4749
Chemical Names :
4-pentènenitrile , 4-pentene nitrile , 4-pentenonitrile
Molecular Formula : C5H7N1
Molecular Weight : 81.057849
More Details :
Names & Synonyms: pent-4-enenitrile , 4-pentenenitrile
Smiles: C=CCCC#N
InChi : InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2
InChi Key : InChIKey=CFEYBLWMNFZOPB-UHFFFAOYSA-N
PubChem ID : 11604
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.532796
Hydrogen bond donor count : 0 Electric dipole moment : 3.951
XLogP : 1.056 VDW volume : 98.123766
Molecular weight : 81.057849 HOMO-LUMO gap : 11.286000
Herb list :
Refrences & Litretures:
  
751.      Journal:'Phytothérapie'      Year:'2012'      Volume:'10'      Page:'238'      DOI:'10.1007/s10298-012-0717-y'      Title:'Isatis tinctoria L. Brassicaceae : le pastel des teinturiers'
752.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'22'      Page:'483'      DOI:'org/10.1080/10412905.2010.9700377'      Title:'Volatile Constituents in Dried Roots of Isatis tinctorial L. (Brassicaceae)'
753.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'508'      DOI:'org/10.1080/10412905.2006.9699155'      Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'
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