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4-Nitro-1,2,3,6,7,8-hexahydropyrene

Catalog Number
ACM88535471
Product Name
4-Nitro-1,2,3,6,7,8-hexahydropyrene
CAS
88535-47-1
Category
Small Molecule Semiconductor Building Blocks
IUPAC Name
4-nitro-1,2,3,6,7,8-hexahydropyrene
Molecular Weight
253.3
Molecular Formula
C16H15NO2
SMILES
C1CC2=C3C(=CC(=C4C3=C(CCC4)C=C2)[N+](=O)[O-])C1
InChI
InChI=1S/C16H15NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h7-9H,1-6H2
InChIKey
KVZSMBRWPWEQHJ-UHFFFAOYSA-N
Melting Point
92 °C
Purity
>98.0%(HPLC)(N)
Appearance
White to Yellow to Green powder to crystal
Status
0
Complexity
377
Formal Charge
0
Exact Mass
253.110279g/mol
Monoisotopic Mass
253.110279g/mol
XLogP3
4.7
Covalently-Bonded Unit Count
1
Heavy Atom Count
19
Rotatable Bond Count
0
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