4H-1-Benzopyran-4-one, 2-(3-methoxy-4-nitrophenyl)-


Chemical Name: 4H-1-Benzopyran-4-one, 2-(3-methoxy-4-nitrophenyl)-
CAS Number: 145370-39-4
Product Number: AG00341S(AGN-PC-0MXCG5)
Synonyms:
MDL No:
Molecular Formula: C16H11NO5
Molecular Weight: 297.2622

Identification/Properties


Properties
MP:
>203ºC (dec.)
BP:
494.0±45.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
297.266g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
297.064g/mol
Monoisotopic Mass:
297.064g/mol
Topological Polar Surface Area:
81.4A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
483
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
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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