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


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-cyano-
CAS Number: 80242-24-6
Product Number: AG005NL1(AGN-PC-00GIOB)
Synonyms:
MDL No:
Molecular Formula: C6H4N2O2
Molecular Weight: 136.1082

Identification/Properties


Properties
Storage:
2-8℃;Keep in dry area;
Computed Properties
Molecular Weight:
136.11g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
136.027g/mol
Monoisotopic Mass:
136.027g/mol
Topological Polar Surface Area:
76.9A^2
Heavy Atom Count:
10
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


GHS Pictogram:
Signal Word:
Danger
UN#:
3439
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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