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5-Ethynylindane

CAT: 0013-GTR19268154-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268154-02Size:10 mg
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Description
5-Ethynylindane is an intermediate used in the synthesis of various active compounds.
CAS Number
132464-86-9
Smiles
C#CC1=CC=C2C (=C1) CCC2
Molecular Formula
C11H10
Molecular Weight
142.20
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-ethynyl-2,3-dihydro-1H-indene
CAS Number132464-86-9
PubChem CID15084143
IUPAC Name5-ethynyl-2,3-dihydro-1H-indene
Molecular FormulaC11H10
Molecular Weight142.20
XLogP3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity183
SMILES
C#CC1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C11H10/c1-2-9-6-7-10-4-3-5-11(10)8-9/h1,6-8H,3-5H2
InChIKey
MQVASHYUPQHESX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-ethynyl-2,3-dihydro-1H-indene
CAS: 132464-86-9
CID: 15084143
Formula: C11H10
MW: 142.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.20
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass142.078250319
Monoisotopic Mass142.078250319
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity183
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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