303137-03-3
Product Name:
2-CYANOETHYL PHOSPHATE BARIUM SALT DIHYDRATE
Formula:
C3H8BaNO6P
Synonyms:
2-Cyanoethyl phosphate barium salt hydrate;3-(Phosphonooxy)propanenitrile barium salt hydrate;Barium 2-cyanoethyl phosphate;Phosphoric acid 2-cyanoethyl ester barium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 322.40 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 322.914171 g/mol |
| Monoisotopic Mass | 322.914171 g/mol |
| Topological Polar Surface Area | 98.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 152 |
| 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 | 4 |
| Compound Is Canonicalized | Yes |