37169-56-5
Product Name:
[3-[3,4-bis(carboxyMethyl)
phenyl]-1-hydroxy-1-oxopropan
-2-yl]azaniuMchloride
Formula:
C13H16ClNO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 317.72 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 317.0666149 g/mol |
| Monoisotopic Mass | 317.0666149 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 383 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |