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Chrysene

CAT: 0013-GTR19155979-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155979-01Size:1 g
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Description
Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) .
CAS Number
218-01-9
Purity
>98% (HPLC)
Solubility
DMSO:5 mg/mL (21.90 mM; Need ultrasonic)
Smiles
C1ccc2c3ccc (cccc4) c4c3ccc2c1
Molecular Formula
C18H12
Molecular Weight
228.29
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Chrysene

Chrysene can cause cancer according to The Environmental Protection Agency (EPA).

CAS Number218-01-9
PubChem CID9171
IUPAC Namechrysene
Molecular FormulaC18H12
Molecular Weight228.3
XLogP5.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity264
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
InChI
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
InChIKey
WDECIBYCCFPHNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chrysene
CAS: 218-01-9
CID: 9171
Formula: C18H12
MW: 228.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.3
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass228.093900383
Monoisotopic Mass228.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity264
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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