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4-Hydroxycoumarin

CAT: 1410-M22660-01Size: 1 EachDry Ice: NoHazardous: No
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Description
4-Hydroxycoumarin, a coumarin derivative.4-Hydroxycoumarin serves as an immediate precursor of 4-hydroxycoumarin (4HC) type anticoagulants (for example, warfarin) . 4-Hydroxycoumarin derivatives are employed as the anticoagulant, antibacterial, antifungal, antiviral, antitumor, antiprotozoal, insecticidal, antimycobacterial, antimutagenic, antioxidant, anti-inflammatory agents, HIV protease inhibitors and tyrosine kinase inhibitors.
CAS Number
1076-38-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
162.14
Molecular Formula
C9H6O3
Notes
Research use only, not for human use.
Receptor
AChR

Chemical Information

4-Hydroxycoumarin

4-hydroxycoumarin is a hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group. It is a conjugate acid of a 4-hydroxycoumarin(1-).

CAS Number1076-38-6
PubChem CID54682930
IUPAC Name4-hydroxychromen-2-one
Molecular FormulaC9H6O3
Molecular Weight162.14
XLogP1.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity232
SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)O
InChI
InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey
VXIXUWQIVKSKSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxycoumarin
CAS: 1076-38-6
CID: 54682930
Formula: C9H6O3
MW: 162.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.14
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass162.031694049
Monoisotopic Mass162.031694049
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity232
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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