1,4-Benzenedicarboxylic acid, ethyl methyl ester


Chemical Name: 1,4-Benzenedicarboxylic acid, ethyl methyl ester
CAS Number: 22163-52-6
Product Number: AG003QFU(AGN-PC-0JTI4V)
Synonyms:
MDL No:
Molecular Formula: C11H12O4
Molecular Weight: 208.2106

Identification/Properties


Properties
BP:
293.0±8.0 °C(Predicted)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
208.213g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
208.074g/mol
Monoisotopic Mass:
208.074g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
229
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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