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3’-HydroxyWarfarin

3’-HydroxyWarfarin structure

CAS No:
30992-81-5
Formula:
C19H16O5
Chemical Name:
3’-HydroxyWarfarin
Synonyms:
4-Hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-;Warfarin RC1;2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-

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3’-HydroxyWarfarin Basic Attributes

Molecular Weight：

324.33

Exact Mass：

324.09977361

Characteristics

PSA：

87.74000

XLogP3：

3.31520

Density：

1.384±0.06 g/cm3

Melting Point：

118-120°C

Boiling Point：

579.9±50.0 °C(Predicted)

Flash Point：

213.685ºC

Refractive Index：

1.659

PKA：

4.50±1.00

3’-HydroxyWarfarin Use and Manufacturing

A new metabolite of Warfarin using Cunninghamella elegans.

Computed Properties

Molecular Weight:324.3
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:324.09977361
Monoisotopic Mass:324.09977361
Topological Polar Surface Area:83.8
Heavy Atom Count:24
Complexity:538
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3’-HydroxyWarfarin

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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