1H-Pyrrole-2-carboxylic acid, 4-formyl-, ethyl ester


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-formyl-, ethyl ester
CAS Number: 7126-57-0
Product Number: AG0034VB(AGN-PC-0JOZAQ)
Synonyms:
MDL No:
Molecular Formula: C8H9NO3
Molecular Weight: 167.1620

Identification/Properties


Properties
MP:
101-105℃
BP:
335.2 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
Miscible with ethyl acetate.
Computed Properties
Molecular Weight:
167.164g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
167.058g/mol
Monoisotopic Mass:
167.058g/mol
Topological Polar Surface Area:
59.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
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


Request for Quotation


Customer Feedback