68077-28-1
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 |