85896-06-6
Product Name:
(R)-(+)-ALPHA-[(3-METHOXY-1-METHYL-3-OXO-1-PROPENYL)AMINO]-1,4-CYCLOHEXADIENE-1-ACETIC ACID, SODIUM SALT
Formula:
C13H16NNaO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 303.39 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 303.08728954 g/mol |
| Monoisotopic Mass | 303.08728954 g/mol |
| Topological Polar Surface Area | 78.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 441 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |