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ScientificNameLabel
1-phenyl-1-propanone
PHCD compound ID : 4751
Chemical Names :
1-phenyl-1-propanone
Molecular Formula : C9H10O1
Molecular Weight : 134.073165
More Details :
Names & Synonyms: 1-phenylpropan-1-one , 1-phenyl-1-propanone , propiophenone
Smiles: CCC(=O)c1ccccc1
InChi : InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChi Key : InChIKey=KRIOVPPHQSLHCZ-UHFFFAOYSA-N
PubChem ID : 7148
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.072819
Hydrogen bond donor count : 0 Electric dipole moment : 2.943
XLogP : 1.497 VDW volume : 139.208254
Molecular weight : 134.073165 HOMO-LUMO gap : 9.518000
Herb list :
Refrences & Litretures:
  
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)'
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