66547-92-0
Product Name:
2-[(1,3-Benzodioxol-5-yl)methyl]-3-[(1,3-benzodioxol-5-yl)methylene]butanedioic acid dimethyl ester
Formula:
C22H20O8
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 412.4 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 412.11581759 g/mol |
| Monoisotopic Mass | 412.11581759 g/mol |
| Topological Polar Surface Area | 89.5 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 662 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |