131008-23-6
Product Name:
6,7-DIMETHYL-3,4-DIHYDRO-1H-2-BENZOTHIOPYRAN-4-ON-1-CARBOXYLIC ACID
Formula:
C12H12O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 236.29 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 236.05071541 g/mol |
| Monoisotopic Mass | 236.05071541 g/mol |
| Topological Polar Surface Area | 79.7 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 315 |
| 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 |