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6-Hydroxyindole

CAT: 0013-GTR19158020-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158020-01Size:100 mg
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Description
6-Hydroxyindole is a reactant for asymmetrical synthesis of notoamide J as a potential biosynthetic precursor of prenylated indole alkaloids and for preparation of indoleoxyacetic acid derivatives as peroxisome proliferator-activated receptor agonists.
CAS Number
2380-86-1
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (751.03 mM)
Smiles
Oc1ccc2cc[nH]c2c1
Molecular Formula
C8H7NO
Molecular Weight
133.15
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

6-Hydroxyindole

structure in first source

CAS Number2380-86-1
PubChem CID524508
IUPAC Name1H-indol-6-ol
Molecular FormulaC8H7NO
Molecular Weight133.15
XLogP2.3
Topological Polar Surface Area36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1=CC(=CC2=C1C=CN2)O
InChI
InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H
InChIKey
XAWPKHNOFIWWNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxyindole
CAS: 2380-86-1
CID: 524508
Formula: C8H7NO
MW: 133.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.15
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass133.052763847
Monoisotopic Mass133.052763847
Topological Polar Surface Area36 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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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