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


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-formyl-
CAS Number: 7126-53-6
Product Number: AG00FEOI(AGN-PC-00NYEF)
Synonyms:
MDL No:
Molecular Formula: C6H5NO3
Molecular Weight: 139.1088

Identification/Properties


Computed Properties
Molecular Weight:
139.11g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
139.027g/mol
Monoisotopic Mass:
139.027g/mol
Topological Polar Surface Area:
70.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
157
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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