1H-Pyrrolecarboxylic acid


Chemical Name: 1H-Pyrrolecarboxylic acid
CAS Number: 634-97-9
Product Number: AG0035JZ(AGN-PC-0C5PRB)
Synonyms:
MDL No:
Molecular Formula: C5H5NO2
Molecular Weight: 111.0987

Identification/Properties


Properties
MP:
204-208 °C(dec.)(lit.)
BP:
340.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.441-1.445
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
111.1g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
111.032g/mol
Monoisotopic Mass:
111.032g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
103
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:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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