126231-22-9
Product Name:
5-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
Formula:
C13H18O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 238.35 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.10275099 g/mol |
| Monoisotopic Mass | 238.10275099 g/mol |
| Topological Polar Surface Area | 65.5 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 282 |
| 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 |