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Dodecenyl succinic anhydride
PHCD compound ID : 257
Chemical Names :
Dodecenyl succinic anhydride
Molecular Formula : C16H26O3
Molecular Weight : 266.188195
More Details :
Names & Synonyms: 3-[(E)-dodec-1-enyl]tetrahydrofuran-2,5-dione , 3-[(E)-dodec-1-enyl]oxolane-2,5-dione , 3-[(E)-dodec-1-enyl]tetrahydrofuran-2,5-quinone
Smiles: CCCCCCCCCC/C=C/[C@@H]1CC(=O)OC1=O
InChi : InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h11-12,14H,2-10,13H2,1H3/b12-11+/t14-/m1/s1
InChi Key : InChIKey=WVRNUXJQQFPNMN-GCZGRYASSA-N
PubChem ID : 6433892
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 3 Ionization potential : 10.348670
Hydrogen bond donor count : 0 Electric dipole moment : 5.540
XLogP : 5.707 VDW volume : 291.397058
Molecular weight : 266.188195 HOMO-LUMO gap : 10.449000
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'
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