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


Chemical Name: 1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-, methyl ester
CAS Number: 69687-80-5
Product Number: AG003RLX(AGN-PC-0JTG2D)
Synonyms:
MDL No:
Molecular Formula: C8H11NO2
Molecular Weight: 153.1784

Identification/Properties


Properties
MP:
115 °C
BP:
294.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
153.181g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
153.079g/mol
Monoisotopic Mass:
153.079g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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


NMR Spectrum


Other Analytical Data


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