845781-45-5
Product Name:
3-METHYL-5-OXO-5-(4-THIOMETHYLPHENYL)VALERIC ACID
Formula:
C13H16O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 252.33 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 252.08201554 g/mol |
| Monoisotopic Mass | 252.08201554 g/mol |
| Topological Polar Surface Area | 79.7 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 270 |
| 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 |