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Indole

CAT: 0013-GTR19158547-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158547-01Size:200 mg
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Description
Indole is an aromatic heterocyclic organic compound. It has a bicyclic structure consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. It can be produced by bacteria as a degradation product of the amino acid tryptophan. It occurs naturally in human feces and has an intense fecal smell. At very low concentrations however it has a flowery smell and is a constituent of many flower scents (such as orange blossoms) and perfumes.
CAS Number
120-72-9
Purity
>98% (HPLC)
Solubility
Ethanol: 100 mg/mL; Water: 2.8 mg/mL
Smiles
C1cc2ccccc2[nH]1
Molecular Formula
C8H7N
Molecular Weight
117.15
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1H-Indole

Chemical Information

Indole

1H-indole is an indole and a polycyclic heteroarene. It has a role as an Escherichia coli metabolite. It is a tautomer of a 3H-indole.

CAS Number120-72-9
PubChem CID798
IUPAC Name1H-indole
Molecular FormulaC8H7N
Molecular Weight117.15
XLogP2.1
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity101
SMILES
C1=CC=C2C(=C1)C=CN2
InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey
SIKJAQJRHWYJAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indole
CAS: 120-72-9
CID: 798
Formula: C8H7N
MW: 117.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight117.15
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass117.057849228
Monoisotopic Mass117.057849228
Topological Polar Surface Area15.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity101
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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