4H-1-Benzopyran-3-carbonitrile, 6-(1-methylethyl)-4-oxo-


Chemical Name: 4H-1-Benzopyran-3-carbonitrile, 6-(1-methylethyl)-4-oxo-
CAS Number: 50743-32-3
Product Number: AG00I93S(AGN-PC-0JVO6C)
Synonyms:
MDL No:
Molecular Formula: C13H11NO2
Molecular Weight: 213.2319

Identification/Properties


Properties
MP:
117.0 to 121.0℃
BP:
320.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
213.236g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
213.079g/mol
Monoisotopic Mass:
213.079g/mol
Topological Polar Surface Area:
50.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
375
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


NMR Spectrum


Other Analytical Data


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