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2,3-Dihydroxyindole

CAT: 0013-GTR19279478-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279478-01Size:50 mg
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Description
2,3-Dihydroxyindole is a nucleoside metabolite.
CAS Number
5638-85-7
Smiles
OC=1NC=2C=CC=CC2C1O
Molecular Formula
C8H7NO2
Molecular Weight
149.15
Notes
For research use only.

Chemical Information

2,3-Dihydroxyindole

2,3-dihydroxyindole is a dihydroxyindole.

CAS Number5638-85-7
PubChem CID21860
IUPAC Name1H-indole-2,3-diol
Molecular FormulaC8H7NO2
Molecular Weight149.15
XLogP1.7
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)O
InChI
InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,9-11H
InChIKey
PGNRLPTYNKQQDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydroxyindole
CAS: 5638-85-7
CID: 21860
Formula: C8H7NO2
MW: 149.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.15
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass149.047678466
Monoisotopic Mass149.047678466
Topological Polar Surface Area56.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
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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