1,3-Benzenedicarboxylic acid, 5-nitro-


Chemical Name: 1,3-Benzenedicarboxylic acid, 5-nitro-
CAS Number: 618-88-2
Product Number: AG003MXD(AGN-PC-0JKAEA)
Synonyms:
MDL No:
Molecular Formula: C8H5NO6
Molecular Weight: 211.1284

Identification/Properties


Properties
MP:
259-261 °C(lit.)
BP:
473.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5282 (estimate)
Computed Properties
Molecular Weight:
211.129g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
211.012g/mol
Monoisotopic Mass:
211.012g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
274
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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