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ScientificNameLabel
Didodecyl phgthalate
PHCD compound ID : 3832
Chemical Names :
Didodecyl phgthalate
Molecular Formula : C32H54O4
Molecular Weight : 502.40221
More Details :
Names & Synonyms: didodecyl benzene-1,2-dicarboxylate , benzene-1,2-dicarboxylic acid didodecyl ester , benzene-1,2-dicarboxylic acid dilauryl ester
Smiles: CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCC
InChi : InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3
InChi Key : InChIKey=PUFGCEQWYLJYNJ-UHFFFAOYSA-N
PubChem ID : 17082
Rotatable bond count : 26 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.310265
Hydrogen bond donor count : 0 Electric dipole moment : 2.345
XLogP : 12.75 VDW volume : 560.750121
Molecular weight : 502.40221 HOMO-LUMO gap : 9.469000
Herb list :
Refrences & Litretures:
  
515.      Journal:'World J. Agric. Sci'      Year:'2009'      Volume:'5'      Page:'572'      DOI:''      Title:'Analysis of Phytochemical Constituents and Antimicrobial Activities of Aloe vera L. Against Clinical Pathogens'
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