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7-Hydroxy-4-methyl-8-nitrocoumarin

CAT: 1568-C14175Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C14175Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19037-69-5
SKU
C14175-25mg
Target
Casein Kinase
Applications
Cell Cycle
Smiles
CC1=CC (=O) OC2=C1C=CC (=C2[N+] (=O) [O-]) O
Molecular Formula
C10H7NO5
Additionnal Information
7-Hydroxy-4-methyl-8-nitrocoumarin is a chemical.
Storage Conditions
3 years -20°C powder

Chemical Information

7-Hydroxy-4-methyl-8-nitrocoumarin
CAS Number19037-69-5
PubChem CID5376327
IUPAC Name7-hydroxy-4-methyl-8-nitrochromen-2-one
Molecular FormulaC10H7NO5
Molecular Weight221.17
XLogP1.8
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity359
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2[N+](=O)[O-])O
InChI
InChI=1S/C10H7NO5/c1-5-4-8(13)16-10-6(5)2-3-7(12)9(10)11(14)15/h2-4,12H,1H3
InChIKey
BGUBUSIGKOWDPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxy-4-methyl-8-nitrocoumarin
CAS: 19037-69-5
CID: 5376327
Formula: C10H7NO5
MW: 221.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.17
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass221.03242232
Monoisotopic Mass221.03242232
Topological Polar Surface Area92.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity359
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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