649722-04-3
Product Name:
1-Isoquinolineacetic acid,1,2,3,4-tetrahydro-6-hydroxy-,ethyl ester
Formula:
C13H17NO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 235.28 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 235.12084340 g/mol |
| Monoisotopic Mass | 235.12084340 g/mol |
| Topological Polar Surface Area | 58.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 269 |
| 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 |