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Picene

CAT: 0931-T207079-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T207079-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
213-46-7
Target
Others
Related Pathways
Others
Purity
0.9973
Bioactivity
Picene is an ortho-fused polycyclic aromatic hydrocarbon (PAH) comprising five fused benzene rings. It exhibits carcinogenic properties and inhibits gap-junctional intercellular communication.
Smiles
c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc12
Molecular Formula
C22H14
Molecular Weight
278.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Picene

Picene is an ortho-fused polycyclic arene consisting of five fused benzene rings. It is obtained during the distillation of petroleum.

CAS Number213-46-7
PubChem CID9162
IUPAC Namepicene
Molecular FormulaC22H14
Molecular Weight278.3
XLogP7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity361
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54
InChI
InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
InChIKey
GBROPGWFBFCKAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Picene
CAS: 213-46-7
CID: 9162
Formula: C22H14
MW: 278.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.3
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass278.109550447
Monoisotopic Mass278.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity361
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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