866134-50-1
Product Name:
6-(CARBOXYMETHYL)-4-(METHYLSULFONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID
Formula:
C12H13NO7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 315.30 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 315.04127293 g/mol |
| Monoisotopic Mass | 315.04127293 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 526 |
| 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 |