42574-70-9
Product Name:
CIS-4-(4-METHYL-PIPERAZIN-1-YL)-4-OXO-BUT-2-ENOIC ACID
Formula:
C9H14N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 198.22 g/mol |
|---|---|
| XLogP3 | -3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 198.10044231 g/mol |
| Monoisotopic Mass | 198.10044231 g/mol |
| Topological Polar Surface Area | 60.8 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 255 |
| 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 |