489-49-6
Product Name:
9-ethoxymethyl-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxodibenzo[b,e][1,4]dioxepin-7-carboxylic acid
Formula:
C20H18O9
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 402.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 402.09508215 g/mol |
| Monoisotopic Mass | 402.09508215 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 637 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cetraric acid is a carbonyl compound.