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3-Hydroxycoumarin

CAT: 0931-T8002-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8002-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
939-19-5
Target
Lipoxygenase
Related Pathways
Metabolism
Purity
0.9991
Bioactivity
3-Hydroxycoumarin is a natural compound, and is human 15-LOX-1 inhibitors
Smiles
Oc1cc2ccccc2oc1=O
Molecular Formula
C9H6O3
Molecular Weight
162.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Hydroxycoumarin

3-hydroxy-1-benzopyran-2-one is a hydroxycoumarin.

CAS Number939-19-5
PubChem CID13650
IUPAC Name3-hydroxychromen-2-one
Molecular FormulaC9H6O3
Molecular Weight162.14
XLogP1.8
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=C(C(=O)O2)O
InChI
InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
InChIKey
MJKVTPMWOKAVMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxycoumarin
CAS: 939-19-5
CID: 13650
Formula: C9H6O3
MW: 162.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.14
XLogP31.8
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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