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68077-28-1

68077-28-1 structural image
Product Name: 1-Propene-1,2,3-tricarboxylicacid, triethyl ester, (E)- (9CI)
Formula: C12H18O6
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COMPUTED DESCRIPTORS

Molecular Weight 258.27 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 10
Exact Mass 258.11033829 g/mol
Monoisotopic Mass 258.11033829 g/mol
Topological Polar Surface Area 78.9 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 332
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes