40785-97-5
Product Name:
7-[3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)-2-HYDROXYPROPOXY]-4-OXO-8-PROPYL-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID SODIUM SALT
Formula:
C27H30O9
Synonyms:
7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]- 4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid sodium salt
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 498.5 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 12 |
| Exact Mass | 498.18898253 g/mol |
| Monoisotopic Mass | 498.18898253 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 809 |
| 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 |
PRODUCT INTRODUCTION
description
7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-carboxylic acid is an aromatic ketone.