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83-12-5

83-12-5 structural image
Product Name: 2-PHENYL-1,3-INDANDIONE
Formula: C15H10O2
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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.