4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid


Chemical Name: 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
CAS Number: 72909-34-3
Product Number: AG003KII(AGN-PC-0JK5QF)
Synonyms:
MDL No:
Molecular Formula: C14H6N2O8
Molecular Weight: 330.2060

Identification/Properties


Properties
MP:
222 - 224°C
BP:
1018.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
330.208g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
3
Exact Mass:
330.012g/mol
Monoisotopic Mass:
330.012g/mol
Topological Polar Surface Area:
175A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
647
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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