2528-17-8
Product Name:
Butanoic acid, 2-hydroxy-3-methyl-, 1,1-dimethylethyl ester
Formula:
C9H18O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 174.24 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 174.125594432 g/mol |
| Monoisotopic Mass | 174.125594432 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 156 |
| 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 |