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4,6-Dimethyl-1H-indene

CAT: 0127-OR1063431Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1063431Size:100 mg
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CAS Number
22430-64-4
MDL Number
MFCD09835223
Purity
98%
Smiles
CC1=CC(C)=C2C=CCC2=C1

Chemical Information

4,6-dimethyl-1H-indene
CAS Number22430-64-4
PubChem CID89709
IUPAC Name4,6-dimethyl-1H-indene
Molecular FormulaC11H12
Molecular Weight144.21
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity169
SMILES
CC1=CC(=C2C=CCC2=C1)C
InChI
InChI=1S/C11H12/c1-8-6-9(2)11-5-3-4-10(11)7-8/h3,5-7H,4H2,1-2H3
InChIKey
KIEPLAOSYPLFEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-dimethyl-1H-indene
CAS: 22430-64-4
CID: 89709
Formula: C11H12
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass144.093900383
Monoisotopic Mass144.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity169
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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