2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-


Chemical Name: 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-
CAS Number: 50995-74-9
Product Number: AG003NC6(AGN-PC-0JUIGV)
Synonyms:
MDL No: MFCD00068721
Molecular Formula: C14H15NO4
Molecular Weight: 261.2732

Identification/Properties


Properties
MP:
222-224 °C
BP:
438.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Solubility:
DMF: soluble
Computed Properties
Molecular Weight:
261.277g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
261.1g/mol
Monoisotopic Mass:
261.1g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
400
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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