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ScientificNameLabel
1,3-Diacetylbenzene
PHCD compound ID : 4028
Chemical Names :
1,3-Diacetylbenzene
Molecular Formula : C10H10O2
Molecular Weight : 162.06808
More Details :
Names & Synonyms: 1-(3-acetylphenyl)ethanone , 1-(3-ethanoylphenyl)ethanone
Smiles: CC(=O)c1cccc(c1)C(=O)C
InChi : InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
InChi Key : InChIKey=VCHOFVSNWYPAEF-UHFFFAOYSA-N
PubChem ID : 23229
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.262714
Hydrogen bond donor count : 0 Electric dipole moment : 6.091
XLogP : 0.617 VDW volume : 162.658006
Molecular weight : 162.06808 HOMO-LUMO gap : 9.287000
Herb list :
Refrences & Litretures:
  
556.      Journal:'Int. J. Agri. Biol'      Year:'2006'      Volume:'8'      Page:'8530'      DOI:''      Title:'Essential Oils of Qare-Qat (Vaccinium arctostaphylos) Shoots and Chemical Composition of Berries'
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