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Noradrenaline (Norepinephrine) Impurity 18

CAT: 1299-RM-N151818-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N151818-01Size:10 mg
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CAS Number
490-90-4
Synonyms
1H-indole-3,5,6 (2H) -trione
Molecular Formula
C8H5NO3
Molecular Weight
163.13
Target Alternative Name
Noradrenaline
Product Name Synonym
1H-indole-3,5,6 (2H) -trione

Chemical Information

1H-indole-3,5,6(2H)-trione
CAS Number490-90-4
PubChem CID12313842
IUPAC Name1,2-dihydroindole-3,5,6-trione
Molecular FormulaC8H5NO3
Molecular Weight163.13
XLogP-0.6
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity362
SMILES
C1C(=O)C2=CC(=O)C(=O)C=C2N1
InChI
InChI=1S/C8H5NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,9H,3H2
InChIKey
XHZMUGJAPVTBOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-indole-3,5,6(2H)-trione
CAS: 490-90-4
CID: 12313842
Formula: C8H5NO3
MW: 163.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.13
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass163.026943022
Monoisotopic Mass163.026943022
Topological Polar Surface Area63.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity362
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