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3-Hydroxyindole

CAT: 0572-TRC-H943505-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H943505-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
480-93-3
Synonyms
1H-Indol-3-ol; Indol-3-ol (7CI,8CI); Indoxyl (6CI); 3-Hydroxyindole
Hazard Statement
Harmful if swallowed; UN number: UN2811; Packing Group: III
Smiles
Oc1c[nH]c2ccccc12
Molecular Formula
C8 H7 N O
Molecular Weight
133.15
InChI
InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
Additionnal Information
IUPAC name: 1H-indol-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Indoxyl

Indoxyl is a member of the class of hydroxyindoles that is 1H-indole substituted by a hydroxy group at position 3. It is a heteroaryl hydroxy compound and a member of hydroxyindoles.

CAS Number480-93-3
PubChem CID50591
IUPAC Name1H-indol-3-ol
Molecular FormulaC8H7NO
Molecular Weight133.15
XLogP2.2
Topological Polar Surface Area36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1=CC=C2C(=C1)C(=CN2)O
InChI
InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
InChIKey
PCKPVGOLPKLUHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indoxyl
CAS: 480-93-3
CID: 50591
Formula: C8H7NO
MW: 133.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.15
XLogP32.2
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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