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


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester
CAS Number: 2199-44-2
Product Number: AG003Q6Q(AGN-PC-0JMPHF)
Synonyms:
MDL No:
Molecular Formula: C9H13NO2
Molecular Weight: 167.2050

Identification/Properties


Properties
MP:
122-126 °C
BP:
268.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4680 (estimate)
Computed Properties
Molecular Weight:
167.208g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
167.095g/mol
Monoisotopic Mass:
167.095g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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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