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Home > Nitro Compounds > 113737-32-9
113737-32-9 | 2-Pyrenol, 6-nitro-
CAS No: 113737-32-9 Catalog No: AG0009HQ MDL No:
Product Description
Catalog Number:
AG0009HQ
Chemical Name:
2-Pyrenol, 6-nitro-
CAS Number:
113737-32-9
Molecular Formula:
C16H9NO3
Molecular Weight:
263.2476
IUPAC Name:
6-nitropyren-2-ol
InChI:
InChI=1S/C16H9NO3/c18-12-7-10-2-1-9-4-6-14(17(19)20)13-5-3-11(8-12)15(10)16(9)13/h1-8,18H
InChI Key:
JZAOZQLOYCDODR-UHFFFAOYSA-N
SMILES:
Oc1cc2ccc3c4c2c(c1)ccc4ccc3[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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