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Indene

CAT: 0013-GTR19256369-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256369-01Size:200 mg
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Description
Indene, with CAS No. 95-13-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Indene provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
95-13-6
Smiles
C1C=Cc2ccccc12
Molecular Formula
C9H8
Molecular Weight
116.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Indene

1H-indene is an ortho-fused bicyclic arene comprising of benzene and cyclopentene rings. It is an ortho-fused bicyclic arene and an indene.

CAS Number95-13-6
PubChem CID7219
IUPAC Name1H-indene
Molecular FormulaC9H8
Molecular Weight116.16
XLogP2.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity124
SMILES
C1C=CC2=CC=CC=C21
InChI
InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
InChIKey
YBYIRNPNPLQARY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indene
CAS: 95-13-6
CID: 7219
Formula: C9H8
MW: 116.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.16
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass116.062600255
Monoisotopic Mass116.062600255
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity124
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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