950252-65-0
Product Name:
2-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID
Formula:
C12H13NO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 219.24 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 219.08954328 g/mol |
| Monoisotopic Mass | 219.08954328 g/mol |
| Topological Polar Surface Area | 57.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 303 |
| 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 |