6493-79-4
Product Name:
4-Methyl-1,2,3,6-tetrahydrobenzoic acid methyl ester
Formula:
C9H14O2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1557.7 1586.9 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 154.21 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 154.099379685 g/mol |
| Monoisotopic Mass | 154.099379685 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 182 |
| 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 |