1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester


Chemical Name: 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester
CAS Number: 2436-79-5
Product Number: AG006W1T(AGN-PC-0JLPF1)
Synonyms:
MDL No:
Molecular Formula: C12H17NO4
Molecular Weight: 239.2677

Identification/Properties


Properties
MP:
135-136°C(lit.)
BP:
372.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Computed Properties
Molecular Weight:
239.27g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
239.115758g/mol
Monoisotopic Mass:
239.115758g/mol
Topological Polar Surface Area:
68.4Ų
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
292
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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