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4-pyridin-3-ylbut-3-enoic acid
CAS number：1005327-54-7 molecular formula：C9H9NO2
overview
Specs
| Chinese alias | - | ||
| English alias | - | ||
| CAS number | 1005327-54-7 | molecular formula | C9H9NO2 |
| molecular weight | 163.17 | Exact mass | - |
| PSA | 50.2 | logp | 0.8 |
numbering system
| CAS | 1005327-54-7 |
| Wikidata | Q126615073 |
| PubChem CID | 439 |
| DSSTox Substance ID | DTXSID101335829 |
physicochemical properties
| XLogP3 | 0.8 |
| Complexity | 177 |
| Exact Mass | 163.063328530 |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Molecular Weight | 163.17 |
| Monoisotopic Mass | 163.063328530 |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Topological Polar Surface Area | 50.2 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
Safety information
No safety information yet
Production methods and uses
No production method and use information yet
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 0 shareMSDS
