2-Quinazolinecarboxylic acid, 1,4-dihydro-4-oxo-


Chemical Name: 2-Quinazolinecarboxylic acid, 1,4-dihydro-4-oxo-
CAS Number: 29113-34-6
Product Number: AG002XDB(AGN-PC-0JPD91)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O3
Molecular Weight: 190.1555

Identification/Properties


Properties
MP:
215-216℃ (decomp)
BP:
427.6±28.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
190.158g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
190.038g/mol
Monoisotopic Mass:
190.038g/mol
Topological Polar Surface Area:
78.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
311
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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