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


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-formyl-1-methyl-, methyl ester
CAS Number: 67858-47-3
Product Number: AG00FB5B(AGN-PC-0KL9K3)
Synonyms:
MDL No: MFCD01571196
Molecular Formula: C8H9NO3
Molecular Weight: 167.1620

Identification/Properties


Computed Properties
Molecular Weight:
167.164g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
167.058g/mol
Monoisotopic Mass:
167.058g/mol
Topological Polar Surface Area:
48.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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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