3-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-4-oxo-, methyl ester


Chemical Name: 3-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-4-oxo-, methyl ester
CAS Number: 82584-78-9
Product Number: AG005CSG(AGN-PC-00AC70)
Synonyms:
MDL No:
Molecular Formula: C10H10O4
Molecular Weight: 194.1840

Identification/Properties


Properties
MP:
104-106℃
BP:
339.849°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
194.186g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
194.058g/mol
Monoisotopic Mass:
194.058g/mol
Topological Polar Surface Area:
56.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
261
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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