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1-Nitropyrene

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For Research Use Only | Not For Clinical Use
CATAPS5522430
CAS5522-43-0
Structure
MDL NumberMFCD00004138
SynonymsNSC 81340,Pyrene, 1-nitro-, 3-Nitropyrene, 1-Nitropyrene
IUPAC Name1-nitropyrene
Molecular Weight247.25
Molecular FormulaC16H9NO2
EC Number226-868-2
Canonical SMILES[O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChI KeyALRLPDGCPYIVHP-UHFFFAOYSA-N
REAXYS Number1882811
Descriptioncertified Reference Material
Accurate Mass247.0633
Formneat
FormatNeat
Gradecertified Reference Material
MP153-155 °C (lit.)
ShippingRoom Temperature
Size10MG
Storage Conditions+20°C
SubcategoryPolycyclic aromatic hydrocarbons (PAHs)
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