Indole

CAT: 0931-T4799-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T4799-01Size:100 mg

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CAS Number

120-72-9

Target

Endogenous Metabolite

Related Pathways

Metabolism

Purity

0.9997

Bioactivity

Indole 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.

Smiles

N1C=CC2=CC=CC=C12

Molecular Formula

C8H7N

Molecular Weight

117.15

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	120-72-9
PubChem CID	798
IUPAC Name	1H-indole
Molecular Formula	C8H7N
Molecular Weight	117.15
XLogP	2.1
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	101

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

CAS: 120-72-9

CID: 798

Formula: C8H7N

MW: 117.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	117.15
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	117.057849228
Monoisotopic Mass	117.057849228
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TD1704-01	Indene
T2192-01	Indazole
PDK0239	Indoline
TMAB-07698-01	Anti-INDOL1 Polyclonal Antibody
TYD-00713-01	1H-Indol-5-amine
T25534-01	Indazole-Cl
T69382-01	INDOPY-1
TYD-02600-01	Indoline-7-carboxaldehyde
T4938-01	Potassium 1H-indol-3-yl sulfate
T5489-01	Tryptophan, N-indol-3-ylacetyl- (6CI)

Alternative Products

Catalog	Name
509004	INDOLE

Indole

Chemical Information

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