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Isatin

CAT: 1596-AR-I03976-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I03976-03Size:50 Units
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CAS Number
91-56-5
Synonyms
Indoline-2,3-dione
Molecular Formula
C8H5NO2
Molecular Weight
147.13
API Name
Isatin

Chemical Information

Isatin

Isatin is an indoledione that is the 2,3-diketo derivative of indole. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and a plant metabolite.

CAS Number91-56-5
PubChem CID7054
IUPAC Name1H-indole-2,3-dione
Molecular FormulaC8H5NO2
Molecular Weight147.13
XLogP0.8
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity212
SMILES
C1=CC=C2C(=C1)C(=O)C(=O)N2
InChI
InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKey
JXDYKVIHCLTXOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isatin
CAS: 91-56-5
CID: 7054
Formula: C8H5NO2
MW: 147.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.13
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass147.032028402
Monoisotopic Mass147.032028402
Topological Polar Surface Area46.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity212
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

Alternative Products

CatalogName
FI02371-01Isatin

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