748776-67-2
Product Name:
2H-Isoindole-2-acetic acid, 5-carboxy-1,3-dihydro-α-[(methylthio)methyl]-1,3-dioxo-
Formula:
C13H11NO6S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 309.30 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 309.03070824 g/mol |
| Monoisotopic Mass | 309.03070824 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 493 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |