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Home > Nitro Compounds > 1732-29-2
1732-29-2 | 1-Pyrenol, 8-nitro-
CAS No: 1732-29-2 Catalog No: AG001YPD MDL No:
Product Description
Catalog Number:
AG001YPD
Chemical Name:
1-Pyrenol, 8-nitro-
CAS Number:
1732-29-2
Molecular Formula:
C16H9NO3
Molecular Weight:
263.2476
IUPAC Name:
8-nitropyren-1-ol
InChI:
InChI=1S/C16H9NO3/c18-14-8-4-10-2-1-9-3-7-13(17(19)20)11-5-6-12(14)16(10)15(9)11/h1-8,18H
InChI Key:
RHXGKMNLLUKFLG-UHFFFAOYSA-N
SMILES:
Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-]
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.252g/mol
Monoisotopic Mass:
263.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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