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6-Methyl-1H-indene

CAT: 0127-OR1047389-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1047389-01Size:100 mg
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CAS Number
20232-11-5
MDL Number
MFCD22200298
Purity
95%
Smiles
CC1=CC2=C(C=C1)C=CC2

Chemical Information

6-methyl-1H-indene
CAS Number20232-11-5
PubChem CID88420
IUPAC Name6-methyl-1H-indene
Molecular FormulaC10H10
Molecular Weight130.19
XLogP3.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity146
SMILES
CC1=CC2=C(C=CC2)C=C1
InChI
InChI=1S/C10H10/c1-8-5-6-9-3-2-4-10(9)7-8/h2-3,5-7H,4H2,1H3
InChIKey
RIGBUHPGSPCSLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-methyl-1H-indene
CAS: 20232-11-5
CID: 88420
Formula: C10H10
MW: 130.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.19
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass130.078250319
Monoisotopic Mass130.078250319
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity146
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