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ScientificNameLabel
4-Hydroxy-3-methylacetophenon
PHCD compound ID : 1862
Chemical Names :
4-Hydroxy-3-methylacetophenone , 4-Hydroxy-3-methylacetophenon
Molecular Formula : C9H10O2
Molecular Weight : 150.06808
More Details :
Names & Synonyms: 1-(4-hydroxy-3-methyl-phenyl)ethanone , 1-(4-hydroxy-3-methylphenyl)ethanone , 1-(3-methyl-4-oxidanyl-phenyl)ethanone
Smiles: CC(=O)c1ccc(c(c1)C)O
InChi : InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3
InChi Key : InChIKey=LXBHHIZIQVZGFN-UHFFFAOYSA-N
PubChem ID : 70135
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.330339
Hydrogen bond donor count : 1 Electric dipole moment : 4.048
XLogP : 0.711 VDW volume : 147.99848
Molecular weight : 150.06808 HOMO-LUMO gap : 8.881000
Herb list :
Refrences & Litretures:
  
219.      Journal:'Intl J Agri Crop Sci'      Year:'2013'      Volume:'5'      Page:'1946'      DOI:''      Title:'Chemical analysis and Identification of the components of two ecotypes of (Mentha Longifolia L. ( in Iran province'
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
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