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Home > Nitro Compounds > 42059-80-3
42059-80-3 | 3-Formyl-6-nitrochromone
CAS No: 42059-80-3 Catalog No: AG003JI2 MDL No:MFCD00192184
Product Description
Catalog Number:
AG003JI2
Chemical Name:
3-Formyl-6-nitrochromone
CAS Number:
42059-80-3
Molecular Formula:
C10H5NO5
Molecular Weight:
219.1504
MDL Number:
MFCD00192184
IUPAC Name:
6-nitro-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C10H5NO5/c12-4-6-5-16-9-2-1-7(11(14)15)3-8(9)10(6)13/h1-5H
InChI Key:
JBDRQGWTNRIJRV-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.152g/mol
Monoisotopic Mass:
219.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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