1,4-Benzenedicarboxylic acid, 2-nitro-, 1-methyl ester


Chemical Name: 1,4-Benzenedicarboxylic acid, 2-nitro-, 1-methyl ester
CAS Number: 35092-89-8
Product Number: AG003EGR(AGN-PC-0LW2Z5)
Synonyms:
MDL No:
Molecular Formula: C9H7NO6
Molecular Weight: 225.1550

Identification/Properties


Properties
MP:
176-178 °C(lit.)
BP:
393.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
225.156g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
225.027g/mol
Monoisotopic Mass:
225.027g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
310
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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