603-45-2
Product Name:
ROSOLIC ACID
Formula:
C19H14O3
Synonyms:
4-[Bis(4-hydroxyphenyl)methylene]-2,5-cyclohexadienone;Aurin
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Deep red solid; Technical product may be yellowish-brown with a dark green metallic fracture; [Merck Index] Dark red powder; [Sigma-Aldrich MSDS] |
|---|---|
| Collision Cross Section | 169.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Chemical Classes | Dyes -> Di- and Triaryl Dyes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 290.3 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 290.094294304 g/mol |
| Monoisotopic Mass | 290.094294304 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 457 |
| 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
Aurin is a diarylmethane.
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