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Malonic acid,ethyl 3-hexyl ester
PHCD compound ID : 4409
Chemical Names :
Malonic acid,ethyl 3-hexyl ester
Molecular Formula : C11H20O4
Molecular Weight : 216.136159
More Details :
Names & Synonyms: O1-ethyl O3-(1-ethylbutyl) propanedioate , propanedioic acid O1-ethyl ester O3-hexan-3-yl ester , 1-O-ethyl 3-O-hexan-3-yl propanedioate , O1-ethyl O3-hexan-3-yl propanedioate , malonic acid O1-ethyl ester O3-(1-ethylbutyl) ester
Smiles: CCC[C@H](OC(=O)CC(=O)OCC)CC
InChi : InChI=1S/C11H20O4/c1-4-7-9(5-2)15-11(13)8-10(12)14-6-3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChi Key : InChIKey=MBSLKFCEANRGKO-SECBINFHSA-N
PubChem ID : 91705314
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.835156
Hydrogen bond donor count : 0 Electric dipole moment : 2.257
XLogP : 2.934 VDW volume : 228.700279
Molecular weight : 216.136159 HOMO-LUMO gap : 11.529000
Herb list :
Refrences & Litretures:
  
656.      Journal:'Int. J. LifeSc. Bt & Pharm. Res'      Year:'2012'      Volume:'1'      Page:'164'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
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