Benzoic acid, 3-methoxy-4-nitro-


Chemical Name: Benzoic acid, 3-methoxy-4-nitro-
CAS Number: 5081-36-7
Product Number: AG006VSS(AGN-PC-0JLRKW)
Synonyms:
MDL No:
Molecular Formula: C8H7NO5
Molecular Weight: 197.1449

Identification/Properties


Properties
MP:
233-235 °C(lit.)
BP:
404.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5700 (estimate)
Computed Properties
Molecular Weight:
197.146g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
197.032g/mol
Monoisotopic Mass:
197.032g/mol
Topological Polar Surface Area:
92.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
236
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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