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143836-80-0 | Pyrene, 4-nitroso-
CAS No: 143836-80-0 Catalog No: AG001IFX MDL No:
Product Description
Catalog Number:
AG001IFX
Chemical Name:
Pyrene, 4-nitroso-
CAS Number:
143836-80-0
Molecular Formula:
C16H9NO
Molecular Weight:
231.2488
IUPAC Name:
4-nitrosopyrene
InChI:
InChI=1S/C16H9NO/c18-17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChI Key:
ZSHMFOZHHUPIMM-UHFFFAOYSA-N
SMILES:
O=Nc1cc2cccc3c2c2c1cccc2cc3
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.254g/mol
Monoisotopic Mass:
231.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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