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


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-ethyl-3,5-dimethyl-, ethyl ester
CAS Number: 2199-47-5
Product Number: AG003QAL(AGN-PC-0JMPHI)
Synonyms:
MDL No:
Molecular Formula: C11H17NO2
Molecular Weight: 195.2582

Identification/Properties


Properties
MP:
87 °C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
195.262g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
195.126g/mol
Monoisotopic Mass:
195.126g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
206
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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