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4’-Hydroxy Warfarin

CAT: 0572-TRC-H996100-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H996100-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24579-14-4
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(O)cc3
Molecular Formula
C19 H16 O5
Molecular Weight
324.33
InChI
InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3
Additionnal Information
IUPAC name: 4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4'-Hydroxywarfarin

4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one is a hydroxycoumarin.

CAS Number24579-14-4
PubChem CID54682146
IUPAC Name4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one
Molecular FormulaC19H16O5
Molecular Weight324.3
XLogP2.3
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity530
SMILES
CC(=O)CC(C1=CC=C(C=C1)O)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3
InChIKey
RRZWAMPDGRWRPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxywarfarin
CAS: 24579-14-4
CID: 54682146
Formula: C19H16O5
MW: 324.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.3
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass324.09977361
Monoisotopic Mass324.09977361
Topological Polar Surface Area83.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-2101954'-Hydroxy Warfarin
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sc-2067193'-Hydroxy Warfarin
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