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Benzo[e]pyrene

CAT: 1299-RG-E140596-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E140596-03Size:50 mg
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CAS Number
192-97-2
Synonyms
Benzo[e]pyrene
Molecular Formula
C20H12
Molecular Weight
252.32
Product Name Synonym
Benzo[e]pyrene

Chemical Information

Benzo(E)Pyrene

Benzo[e]pyrene is an ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC. It has a role as a mutagen and a carcinogenic agent.

CAS Number192-97-2
PubChem CID9128
IUPAC Namebenzo[e]pyrene
Molecular FormulaC20H12
Molecular Weight252.3
XLogP6.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity336
SMILES
C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4
InChI
InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
InChIKey
TXVHTIQJNYSSKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzo(E)Pyrene
CAS: 192-97-2
CID: 9128
Formula: C20H12
MW: 252.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.3
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass252.093900383
Monoisotopic Mass252.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity336
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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