2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester


Chemical Name: 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester
CAS Number: 1846-76-0
Product Number: AG003QEN(AGN-PC-0JKCIH)
Synonyms:
MDL No:
Molecular Formula: C12H10O4
Molecular Weight: 218.2054

Identification/Properties


Properties
MP:
92-94°C
BP:
378°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
218.208g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
218.058g/mol
Monoisotopic Mass:
218.058g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
332
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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