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Dicoumarol

CAT: 0013-GTR19260066-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260066-04Size:5 mg
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Description
Dicoumarol
CAS Number
66-76-2
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Molecular Formula
C19H12O6
Molecular Weight
336.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Dicoumarol

Dicumarol can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number66-76-2
PubChem CID54676038
IUPAC Name4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
Molecular FormulaC19H12O6
Molecular Weight336.3
XLogP2.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity605
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
InChI
InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
InChIKey
DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dicoumarol
CAS: 66-76-2
CID: 54676038
Formula: C19H12O6
MW: 336.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.3
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass336.06338810
Monoisotopic Mass336.06338810
Topological Polar Surface Area93.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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