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ScientificNameLabel
2-Acetyltoluene
PHCD compound ID : 2113
Chemical Names :
2-methylacetophenone , 2-Acetyltoluene
Molecular Formula : C9H10O1
Molecular Weight : 134.073165
More Details :
Names & Synonyms: 1-(o-tolyl)ethanone , 1-(2-methylphenyl)ethanone
Smiles: CC(=O)c1ccccc1C
InChi : InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
InChi Key : InChIKey=YXWWHNCQZBVZPV-UHFFFAOYSA-N
PubChem ID : 11340
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.662223
Hydrogen bond donor count : 0 Electric dipole moment : 2.737
XLogP : 1.636 VDW volume : 139.208254
Molecular weight : 134.073165 HOMO-LUMO gap : 9.419000
Herb list :
Refrences & Litretures:
  
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
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