1,4-Benzenedicarboxylic acid, mono(1,1-dimethylethyl) ester


Chemical Name: 1,4-Benzenedicarboxylic acid, mono(1,1-dimethylethyl) ester
CAS Number: 20576-82-3
Product Number: AG002ACW(AGN-PC-0LVHZ7)
Synonyms:
MDL No:
Molecular Formula: C12H13O4-
Molecular Weight: 221.2292

Identification/Properties


Properties
MP:
209-212 °C
BP:
351.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
222.24g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
222.089g/mol
Monoisotopic Mass:
222.089g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
269
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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