Skip Navigation Links
ScientificNameLabel
2-Nitrohept-2-en-1-ol
PHCD compound ID : 1091
Chemical Names :
2-Nitrohept-2-en-1-ol
Molecular Formula : C7H13N1O3
Molecular Weight : 159.089543
More Details :
Names & Synonyms: (Z)-2-nitrohept-2-en-1-ol , (Z)-2-nitro-2-hepten-1-ol
Smiles: CCCC/C=C(\[N+](=O)[O-])/CO
InChi : InChI=1S/C7H13NO3/c1-2-3-4-5-7(6-9)8(10)11/h5,9H,2-4,6H2,1H3/b7-5-
InChi Key : InChIKey=ZSRUFXLVZUINSH-ALCCZGGFSA-N
PubChem ID : 5362713
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.751886
Hydrogen bond donor count : 1 Electric dipole moment : 3.675
XLogP : 1.918 VDW volume : 161.722874
Molecular weight : 159.089543 HOMO-LUMO gap : 9.782000
Herb list :
Refrences & Litretures:
  
111.      Journal:'Pharmaceutical sciences'      Year:'2013'      Volume:'18'      Page:'187'      DOI:''      Title:'Chemical Composition and Antinociceptive Effect of the Essential Oil of Dracocephalum moldavica L'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us