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Noradrenaline (Norepinephrine) Impurity 81

CAT: 1299-RM-N151881-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N151881-01Size:10 mg
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CAS Number
73853-05-1
Synonyms
1-isopropyl-1H-indole-3,5,6-triol
Molecular Formula
C11H13NO3
Molecular Weight
207.23
Target Alternative Name
Noradrenaline (Norepinephrine)
Product Name Synonym
1-isopropyl-1H-indole-3,5,6-triol

Chemical Information

1-Isopropyl-1H-indole-3,5,6-triol
CAS Number73853-05-1
PubChem CID45093053
IUPAC Name1-propan-2-ylindole-3,5,6-triol
Molecular FormulaC11H13NO3
Molecular Weight207.23
XLogP1.6
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity234
SMILES
CC(C)N1C=C(C2=CC(=C(C=C21)O)O)O
InChI
InChI=1S/C11H13NO3/c1-6(2)12-5-11(15)7-3-9(13)10(14)4-8(7)12/h3-6,13-15H,1-2H3
InChIKey
OGRIJODCJMPIOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Isopropyl-1H-indole-3,5,6-triol
CAS: 73853-05-1
CID: 45093053
Formula: C11H13NO3
MW: 207.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.23
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass207.08954328
Monoisotopic Mass207.08954328
Topological Polar Surface Area65.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity234
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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