887339-22-2
Product Name:
Benzoic acid, 4-[(1E)-3-carboxy-1-propenyl]-, 1-ethyl ester (9CI)
Formula:
C13H14O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 234.25 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 234.08920892 g/mol |
| Monoisotopic Mass | 234.08920892 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 288 |
| 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 |