92761-26-7
Product Name:
[(3E)-3-[[4-[(Z)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)norbornan-2-yliden e]methyl]phenyl]methylidene]-7,7-dimethyl-2-oxo-norbornan-1-yl]methane sulfonic acid
Formula:
C28H34O8S2
Synonyms:
Ecamsule
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Solid |
|---|---|
| Melting Point | 255 °C (decomposes) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Dissociation Constants | pKa = 1.99 /sulfuric acid moiety/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 562.7 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 562.16951039 g/mol |
| Monoisotopic Mass | 562.16951039 g/mol |
| Topological Polar Surface Area | 160 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1230 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ecamsule is a monoterpenoid.