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69155-76-6 | 6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde
CAS No: 69155-76-6 Catalog No: AG003N7R MDL No:MFCD00139060
Product Description
Catalog Number:
AG003N7R
Chemical Name:
6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde
CAS Number:
69155-76-6
Molecular Formula:
C10H5FO3
Molecular Weight:
192.1433
MDL Number:
MFCD00139060
IUPAC Name:
6-fluoro-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C10H5FO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
InChI Key:
VHRMOTNEBIKURN-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)cc(cc2)F
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.145g/mol
Monoisotopic Mass:
192.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Biological activity of 3-formylchromones and related compounds. | In vivo (Athens, Greece) 20070101 |
| Formylchromone derivatives as a novel class of protein tyrosine phosphatase 1B inhibitors. | Bioorganic & medicinal chemistry letters 20030804 |
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