2H-1-Benzopyran-4-acetic acid, 7-(dimethylamino)-2-oxo-


Chemical Name: 2H-1-Benzopyran-4-acetic acid, 7-(dimethylamino)-2-oxo-
CAS Number: 80883-54-1
Product Number: AG003NF3(AGN-PC-0KKOYT)
Synonyms:
MDL No:
Molecular Formula: C13H13NO4
Molecular Weight: 247.2466

Identification/Properties


Properties
MP:
185 °C
BP:
497.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
247.25g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
247.084g/mol
Monoisotopic Mass:
247.084g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
389
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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