CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | LEAFLETS FROM ALCOHOL |
| Odor | ALMOST ODORLESS |
| Melting Point | 150 °C |
| Solubility | 27 mg/L (at 20 °C) |
| LogP | 2.9 |
| pH | 4.5 IN SATURATED SOLN @ 25 °C |
| Collision Cross Section | 145.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2055 2055 |
| Other Experimental Properties | SOLN IN ALKALIES ARE RED, IN CONCN H2SO4 BLUE |
COMPUTED DESCRIPTORS
| Molecular Weight | 222.24 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 222.068079557 g/mol |
| Monoisotopic Mass | 222.068079557 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 304 |
| 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
Phenindione is a beta-diketone and an aromatic ketone. It has a role as an anticoagulant. It derives from a hydride of an indane.