53051-81-3
Product Name:
DIETHYL MALONATE (1,2,3-13C3)
Formula:
C7H12O4
Synonyms:
13C Labeled diethyl malonate;13C Labeled diethyl malonic acid;Malonic acid diethyl ester-13C3
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COMPUTED DESCRIPTORS
| Molecular Weight | 163.15 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 163.08362337 g/mol |
| Monoisotopic Mass | 163.08362337 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 125 |
| Isotope Atom Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |