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ScientificNameLabel
Propyl nitrite
PHCD compound ID : 797
Chemical Names :
Propyl nitrite
Molecular Formula : C3H7N1O2
Molecular Weight : 89.047678
More Details :
Names & Synonyms: propyl nitrite , nitrous acid propyl ester
Smiles: CCCON=O
InChi : InChI=1S/C3H7NO2/c1-2-3-6-4-5/h2-3H2,1H3
InChi Key : InChIKey=KAOQVXHBVNKNHA-UHFFFAOYSA-N
PubChem ID : 10979
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 10.332010
Hydrogen bond donor count : 0 Electric dipole moment : 2.502
XLogP : 1.633 VDW volume : 86.385167
Molecular weight : 89.047678 HOMO-LUMO gap : 10.080000
Herb list :
Refrences & Litretures:
  
55.      Journal:'Food Chemistry'      Year:'2013'      Volume:'138'      Page:'2180'      DOI:'10.1016/j.foodchem.2012.11.131'      Title:'Chemical composition, antioxidant and antimicrobial activities of essential oil obtained from Ferula assa-foetida oleo-gum-resin: Effect of collection time'
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