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


Chemical Name: 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-ethyl ester
CAS Number: 5442-91-1
Product Number: AG00DDV1(AGN-PC-0LMUQU)
Synonyms:
MDL No:
Molecular Formula: C10H13NO4
Molecular Weight: 211.2145

Identification/Properties


Properties
MP:
202℃ (decomp)
BP:
424.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
211.217g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
211.084g/mol
Monoisotopic Mass:
211.084g/mol
Topological Polar Surface Area:
79.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
266
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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