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


Chemical Name: 1H-Pyrrole-2,4-dicarboxylic acid, 3-methyl-, diethyl ester
CAS Number: 5448-16-8
Product Number: AG00DB5Q(AGN-PC-0JO6BW)
Synonyms:
MDL No:
Molecular Formula: C11H15NO4
Molecular Weight: 225.2411

Identification/Properties


Properties
BP:
364.712°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
225.244g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
225.1g/mol
Monoisotopic Mass:
225.1g/mol
Topological Polar Surface Area:
68.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
267
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-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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