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Pyrene

CAT: 1489-P8810-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:1489-P8810-03Size:100 g
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CAS Number
129-00-0
Purity
0.97

Chemical Information

Pyrene

Pyrene is an ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. It has a role as a fluorescent probe and a persistent organic pollutant.

CAS Number129-00-0
PubChem CID31423
IUPAC Namepyrene
Molecular FormulaC16H10
Molecular Weight202.25
XLogP4.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity217
SMILES
C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
InChI
InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
InChIKey
BBEAQIROQSPTKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrene
CAS: 129-00-0
CID: 31423
Formula: C16H10
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass202.078250319
Monoisotopic Mass202.078250319
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity217
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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HY-103609R-01Pyrene (Standard)
020231Pyrene-d10
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