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Daphnetin

CAT: 0607-N1567-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-N1567-20Size:20 mg
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Description
Protein kinases inhibitor for EGFR/PKA/PKC
CAS Number
486-35-1
Product Name Alternative
7,8-dihydroxychromen-2-one
Field of Research
Natural Products
Purity
0.98
Solubility
Soluble in DMSO
Smiles
C1=CC(=C(C2=C1C=CC(=O)O2)O)O
Molecular Formula
C9H6O4
Molecular Weight
178.14
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Daphnetin

7,8-dihydroxycoumarin is a hydroxycoumarin.

CAS Number486-35-1
PubChem CID5280569
IUPAC Name7,8-dihydroxychromen-2-one
Molecular FormulaC9H6O4
Molecular Weight178.14
XLogP1.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity248
SMILES
C1=CC(=C(C2=C1C=CC(=O)O2)O)O
InChI
InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
InChIKey
ATEFPOUAMCWAQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Daphnetin
CAS: 486-35-1
CID: 5280569
Formula: C9H6O4
MW: 178.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.14
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass178.02660867
Monoisotopic Mass178.02660867
Topological Polar Surface Area66.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity248
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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