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5-ACETYLINDANE

CAT: 0013-GTR19254174-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254174-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-ACETYLINDANE, with CAS No. 4228-10-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 5-ACETYLINDANE 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
4228-10-8
Product Name Alternative
5ACETYLINDANE, 5 ACETYLINDANE
Purity
96.13% (May vary between batches)
Smiles
CC (=O) C1=CC2=C (CCC2) C=C1
Molecular Formula
C11H12O
Molecular Weight
160.216
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

5-Acetylindane
CAS Number4228-10-8
PubChem CID138158
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)ethanone
Molecular FormulaC11H12O
Molecular Weight160.21
XLogP2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
CC(=O)C1CCC2=CC=CC=C12
InChI
InChI=1S/C11H12O/c1-8(12)10-7-6-9-4-2-3-5-11(9)10/h2-5,10H,6-7H2,1H3
InChIKey
ZDDDIYOBAOJYAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Acetylindane
CAS: 4228-10-8
CID: 138158
Formula: C11H12O
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass160.088815002
Monoisotopic Mass160.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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