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ScientificNameLabel
1-Phenyl butanone
PHCD compound ID : 1499
Chemical Names :
1-Phenyl butanone
Molecular Formula : C10H12O1
Molecular Weight : 148.088815
More Details :
Names & Synonyms: 1-phenylbutan-1-one , 1-phenyl-1-butanone
Smiles: CCCC(=O)c1ccccc1
InChi : InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChi Key : InChIKey=FFSAXUULYPJSKH-UHFFFAOYSA-N
PubChem ID : 10315
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.071738
Hydrogen bond donor count : 0 Electric dipole moment : 3.006
XLogP : 2.066 VDW volume : 156.504238
Molecular weight : 148.088815 HOMO-LUMO gap : 9.513000
Herb list :
Refrences & Litretures:
  
161.      Journal:'Archives of Applied Science Research'      Year:'2011'      Volume:'3'      Page:'44'      DOI:''      Title:'Biocontrol of Botrytis cinerea with essential oil and methanol extract of Viola odorata L. flowers'
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