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3-Pentyl-1H-indene

CAT: 0572-TRC-P280210-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P280210-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
43130-69-4
Hazard Statement
No Data Available
Smiles
CCCCCC1=CCc2ccccc12
Molecular Formula
C14 H18
Molecular Weight
186.293
InChI
InChI=1S/C14H18/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13/h5-6,8-10H,2-4,7,11H2,1H3
Additionnal Information
IUPAC name: 3-pentyl-1H-indene
Shipping Conditions
Room Temperature

Chemical Information

3-Pentyl-1H-indene
CAS Number43130-69-4
PubChem CID15664054
IUPAC Name3-pentyl-1H-indene
Molecular FormulaC14H18
Molecular Weight186.29
XLogP4.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity202
SMILES
CCCCCC1=CCC2=CC=CC=C21
InChI
InChI=1S/C14H18/c1-2-3-4-7-12-10-11-13-8-5-6-9-14(12)13/h5-6,8-10H,2-4,7,11H2,1H3
InChIKey
IAYWFZNROQBSGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Pentyl-1H-indene
CAS: 43130-69-4
CID: 15664054
Formula: C14H18
MW: 186.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.29
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass186.140850574
Monoisotopic Mass186.140850574
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity202
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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