131733-92-1
Product Name:
NCS-382
Formula:
C13H13NaO3
Synonyms:
5,7,8,9-Tetrahydro-5-hydroxy-6H-benzocyclohepten-6-ylidene acetic acid monosodium salt hydrate
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COMPUTED DESCRIPTORS
| Molecular Weight | 240.23 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.07623855 g/mol |
| Monoisotopic Mass | 240.07623855 g/mol |
| Topological Polar Surface Area | 60.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 301 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |