CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Pale yellow crystals from acetic acid or ethanol |
| Odor | ODORLESS OR HAS SLIGHTLY SWEET ODOR |
| Melting Point | 155-156 |
| Solubility | 79.8 mg/L |
| LogP | 2.88 |
| Stability/Shelf Life | STABLE IN LIGHT & AIR |
| Kovats Retention Index | 2273 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H351:Carcinogenicity |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P308+P313:IF exposed or concerned: Get medical advice/attention. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 252.26 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 252.078644241 g/mol |
| Monoisotopic Mass | 252.078644241 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 344 |
| 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
Anisindione is a cyclic beta-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position. It has a role as an anticoagulant and a vitamin K antagonist. It is a beta-diketone and an aromatic ketone. It derives from a hydride of an indane.