1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester


Chemical Name: 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester
CAS Number: 13290-96-5
Product Number: AG0011CQ(AGN-PC-0JLUGA)
Synonyms:
MDL No: MFCD00008429
Molecular Formula: C10H9NO6
Molecular Weight: 239.1816

Identification/Properties


Properties
MP:
123-125 °C(lit.)
BP:
360.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5310 (estimate)
Computed Properties
Molecular Weight:
239.183g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
239.043g/mol
Monoisotopic Mass:
239.043g/mol
Topological Polar Surface Area:
98.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
299
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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