88162-10-1
Product Name:
1,2-Benzenedicarboxylic Acid 1-(5-Carboxy-2-ethyl-4-hydroxypentyl) Ester (Mixture of DiasteroMers)
Formula:
C16H20O7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 324.32 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 324.12090297 g/mol |
| Monoisotopic Mass | 324.12090297 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 421 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |