Skip Navigation Links
ScientificNameLabel
4-Hydroxy-2-methylacetophenone
PHCD compound ID : 225
Chemical Names :
4-Hydroxy-2-methylacetophenone , 2-Methyl-4-hydroxyacetophenone
Molecular Formula : C9H10O2
Molecular Weight : 150.06808
More Details :
Names & Synonyms: 1-(4-hydroxy-2-methyl-phenyl)ethanone , 1-(4-hydroxy-2-methylphenyl)ethanone , 1-(2-methyl-4-oxidanyl-phenyl)ethanone
Smiles: Oc1ccc(c(c1)C)C(=O)C
InChi : InChI=1S/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3
InChi Key : InChIKey=IAMNVCJECQWBLZ-UHFFFAOYSA-N
PubChem ID : 70133
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.442214
Hydrogen bond donor count : 1 Electric dipole moment : 3.391
XLogP : 0.922 VDW volume : 147.99848
Molecular weight : 150.06808 HOMO-LUMO gap : 9.117000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us