1,3-Benzenedicarboxylic acid, dimethyl ester


Chemical Name: 1,3-Benzenedicarboxylic acid, dimethyl ester
CAS Number: 1459-93-4
Product Number: AG001DI7(AGN-PC-04H899)
Synonyms:
MDL No:
Molecular Formula: C10H10O4
Molecular Weight: 194.1840

Identification/Properties


Properties
MP:
64-68 °C
BP:
285°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5168 (estimate)
Solubility:
0.29g/l insoluble
Computed Properties
Molecular Weight:
194.186g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
194.058g/mol
Monoisotopic Mass:
194.058g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
202
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-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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