1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-2,5-dioxo-, ethyl ester


Chemical Name: 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-2,5-dioxo-, ethyl ester
CAS Number: 55750-49-7
Product Number: AG003Q2L(AGN-PC-0JOYEI)
Synonyms:
MDL No: MFCD16619570
Molecular Formula: C7H7NO4
Molecular Weight: 169.1348

Identification/Properties


Properties
BP:
257.3±23.0°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
169.136g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
169.038g/mol
Monoisotopic Mass:
169.038g/mol
Topological Polar Surface Area:
63.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
251
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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