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ScientificNameLabel
Mehp
PHCD compound ID : 1244
Chemical Names :
Mehp , Mono(2-ethylhexyl) phthalate , 1,2-benzenedicarboxylic acid,mono(2-ethylhexyl) ester , 1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl)ester
Molecular Formula : C16H22O4
Molecular Weight : 278.151809
More Details :
Names & Synonyms: 2-(2-ethylhexoxycarbonyl)benzoic acid , 2-[2-ethylhexoxy(oxo)methyl]benzoic acid
Smiles: CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC
InChi : InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChi Key : InChIKey=DJDSLBVSSOQSLW-GFCCVEGCSA-N
PubChem ID : 20393
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.452700
Hydrogen bond donor count : 1 Electric dipole moment : 3.127
XLogP : 3.979 VDW volume : 284.014367
Molecular weight : 278.151809 HOMO-LUMO gap : 9.475000
Herb list :
Refrences & Litretures:
  
130.      Journal:'J. Sci. Res'      Year:'2009'      Volume:'1'      Page:'387'      DOI:'10.3329/jsr.v1i2.1760'      Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
230.      Journal:'Adv. Biomed. Eng'      Year:'2012'      Volume:'6'      Page:'61'      DOI:''      Title:'Allelopathic Potential in Different Polarity Phases of Datura Stramonium L'
384.      Journal:'Cent. Eur. J. Chem'      Year:'2013'      Volume:'11'      Page:'1699'      DOI:'10.2478/s11532-013-0295-3'      Title:'Antioxidant and chemical properties of Inula helenium root extracts'
423.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'9391'      DOI:'10.3390/molecules15129391'      Title:'Insecticidal Activity of Essential Oil of Carum Carvi Fruits from China and Its Main Components against Two Grain Storage Insects'
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