26518-87-6
Product Name:
4-OXO-4-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)-2-BUTENOIC ACID
Formula:
C12H9NO5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 247.20 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 247.04807239 g/mol |
| Monoisotopic Mass | 247.04807239 g/mol |
| Topological Polar Surface Area | 92.7 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 403 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |