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(S) -7-Hydroxy Warfarin

CAT: 1596-AR-W01003-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-W01003-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63740-81-8
Synonyms
(S) -4,7-dihydroxy-3- (3-oxo-1-phenylbutyl) -2H-chromen-2-one;2,7-dihydroxy-3-[ (1S) -3-oxo-1-phenyl-butyl]chromen-4-one;7-Hydroxywarfarin, (S) -; (s) -7-hydroxy-warfarin;2H-1-Benzopyran-2-one, 4,7-dihydroxy-3- (3-oxo-1-phenylbutyl) -, (S) -
Molecular Formula
C19H16O5
Molecular Weight
324.34
API Name
Warfarin

Chemical Information

7-Hydroxywarfarin, (S)-
CAS Number63740-81-8
PubChem CID54692246
IUPAC Name4,7-dihydroxy-3-[(1S)-3-oxo-1-phenylbutyl]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
Complexity532
SMILES
CC(=O)C[C@@H](C1=CC=CC=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)O
InChI
InChI=1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3/t15-/m0/s1
InChIKey
SKFYEJMLNMTTJA-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxywarfarin, (S)-
CAS: 63740-81-8
CID: 54692246
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
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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