1H-Pyrrole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester


Chemical Name: 1H-Pyrrole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester
CAS Number: 294659-30-6
Product Number: AG002YH9(AGN-PC-0053BY)
Synonyms:
MDL No:
Molecular Formula: C11H15NO4
Molecular Weight: 225.2411

Identification/Properties


Computed Properties
Molecular Weight:
225.244g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
225.1g/mol
Monoisotopic Mass:
225.1g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
282
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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