53798-97-3
Product Name:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-dimethyl ester
Formula:
C8H12O7
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1563 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 220.18 g/mol |
|---|---|
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 220.05830272 g/mol |
| Monoisotopic Mass | 220.05830272 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 272 |
| 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 |