CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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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 |
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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.