1H-Pyrrolo[3,4-c]pyridine-1,3(2H)-dione


Chemical Name: 1H-Pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CAS Number: 4664-01-1
Product Number: AG003IJD(AGN-PC-0JLAW3)
Synonyms:
MDL No:
Molecular Formula: C7H4N2O2
Molecular Weight: 148.1189

Identification/Properties


Properties
MP:
232-235°C(lit.);
BP:
268.69°C (rough estimate)
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5300 (estimate)
Computed Properties
Molecular Weight:
148.121g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
148.027g/mol
Monoisotopic Mass:
148.027g/mol
Topological Polar Surface Area:
59.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
215
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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