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Dehydro Warfarin

CAT: 1596-AR-W01008-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-W01008-01Size:10 Units
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CAS Number
67588-18-5
Synonyms
4-hydroxy-3- (3-oxo-1-phenylbut-1-en-1-yl) -2H-chromen-2-one; Dehydrowarfarin; 4-Hydroxy-3- (3-oxo-1-phenyl-1-buten-1-yl) -2H-1-benzopyran-2-one; NSC 289346
Molecular Formula
C19H14O4
Molecular Weight
306.32
API Name
Warfarin

Chemical Information

Dehydrowarfarin

Dehydrowarfarin is a hydroxycoumarin.

CAS Number67588-18-5
PubChem CID54684422
IUPAC Name4-hydroxy-3-[(E)-3-oxo-1-phenylbut-1-enyl]chromen-2-one
Molecular FormulaC19H14O4
Molecular Weight306.3
XLogP3.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity552
SMILES
CC(=O)/C=C(\C1=CC=CC=C1)/C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C19H14O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-11,21H,1H3/b15-11+
InChIKey
SWIPQYPHTPMNLK-RVDMUPIBSA-N
Chemical Structure
2D Structure
2D structure of Dehydrowarfarin
CAS: 67588-18-5
CID: 54684422
Formula: C19H14O4
MW: 306.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.3
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass306.08920892
Monoisotopic Mass306.08920892
Topological Polar Surface Area63.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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AR-W01038-01(S) -Warfarin-d5
AR-W01009-01(S) -Warfarin-d5
AR-W01015-018-Hydroxy Warfarin
AR-W01011-016-Hydroxy Warfarin

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