2H-Cyclohepta[b]furan-3-carboxylic acid, 2-oxo-, methyl ester


Chemical Name: 2H-Cyclohepta[b]furan-3-carboxylic acid, 2-oxo-, methyl ester
CAS Number: 50603-71-9
Product Number: AG003RP1(AGN-PC-0MYFXL)
Synonyms:
MDL No:
Molecular Formula: C11H8O4
Molecular Weight: 204.1788

Identification/Properties


Properties
MP:
173 °C
BP:
480.71°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
204.181g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
204.042g/mol
Monoisotopic Mass:
204.042g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
449
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:
Danger
UN#:
2811
Hazard Statements:
H341
Precautionary Statements:
P201-P202-P280-P308+P313-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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