51725-82-7
Product Name:
3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER
Formula:
C12H14O3
Synonyms:
Ethyl o-methylbenzoylacetate;Ethyl o-toluoylacetate;Ethyl 2-(2-methylbenzoyl)acetate;Ethyl 3-(2-methylphenyl)-3-oxopropanoate;Ethyl 3-oxo-3-(o-tolyl)propanoate
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COMPUTED DESCRIPTORS
| Molecular Weight | 206.24 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 206.094294304 g/mol |
| Monoisotopic Mass | 206.094294304 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 235 |
| Isotope Atom Count | 0 |
| 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 |