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3,5-Pyridinedicarboxylic acid,2,6-dimethyldiethyl ester
PHCD compound ID : 2877
Chemical Names :
3,5-Pyridinedicarboxylic acid,2,6-dimethyldiethyl ester
Molecular Formula : C13H17N1O4
Molecular Weight : 251.115758
More Details :
Names & Synonyms: diethyl 2,6-dimethylpyridine-3,5-dicarboxylate , 2,6-dimethylpyridine-3,5-dicarboxylic acid diethyl ester
Smiles: CCOC(=O)c1cc(C(=O)OCC)c(nc1C)C
InChi : InChI=1S/C13H17NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h7H,5-6H2,1-4H3
InChi Key : InChIKey=DIIWSYPKAJVXBV-UHFFFAOYSA-N
PubChem ID : 245983
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 10.191815
Hydrogen bond donor count : 0 Electric dipole moment : 3.105
XLogP : 1.244 VDW volume : 243.123174
Molecular weight : 251.115758 HOMO-LUMO gap : 9.258000
Herb list :
Refrences & Litretures:
  
363.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'273'      DOI:'10.3390/molecules14010273'      Title:'The Main Chemical Composition and in vitro Antifungal Activity of the Essential Oils of Ocimum basilicum Linn. var. pilosum (Willd.) Benth'
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