1,3-Benzenedicarboxylic acid, diethyl ester


Chemical Name: 1,3-Benzenedicarboxylic acid, diethyl ester
CAS Number: 636-53-3
Product Number: AG00E8MN(AGN-PC-0JKAMH)
Synonyms:
MDL No:
Molecular Formula: C12H14O4
Molecular Weight: 222.2372

Identification/Properties


Properties
MP:
11.5°C
BP:
302°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.5080 (estimate)
Computed Properties
Molecular Weight:
222.24g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
222.089g/mol
Monoisotopic Mass:
222.089g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
225
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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