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Compound PDK0238

CAT: 0931-PDK0238-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-PDK0238-03Size:5 g
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CAS Number
496-11-7
Bioactivity
Compound PDK0238, with CAS No. 496-11-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0238 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.
Smiles
C1CC2=C(C1)C=CC=C2
Molecular Formula
C9H10
Molecular Weight
118.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Indane

Indane is an ortho-fused bicyclic hydrocarbon consisting of a benzene ring fused to a cyclopentane ring; a high-boiling (176 oC) colourless liquid. It is an ortho-fused bicyclic hydrocarbon and a member of indanes.

CAS Number496-11-7
PubChem CID10326
IUPAC Name2,3-dihydro-1H-indene
Molecular FormulaC9H10
Molecular Weight118.18
XLogP3.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
C1CC2=CC=CC=C2C1
InChI
InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
InChIKey
PQNFLJBBNBOBRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indane
CAS: 496-11-7
CID: 10326
Formula: C9H10
MW: 118.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.18
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass118.078250319
Monoisotopic Mass118.078250319
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.2
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

Related Products

CatalogName
PDK0138-01Compound PDK0138
PDK0235-01Compound PDK0235
PDK0228-01Compound PDK0228
PDK0288-01Compound PDK0288
PDK0208-01Compound PDK0208
PDK0338-01Compound PDK0338
PDK0231-01Compound PDK0231
PDK0278-01Compound PDK0278
PDK0230-01Compound PDK0230
PDK0298-01Compound PDK0298

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HY-14176-01Compound E
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