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89019-07-8 | 8-Acetyl-7-methoxy-2H-chromen-2-one
CAS No: 89019-07-8 Catalog No: AG0044DE MDL No:
Product Description
Catalog Number:
AG0044DE
Chemical Name:
8-Acetyl-7-methoxy-2H-chromen-2-one
CAS Number:
89019-07-8
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
8-acetyl-7-methoxychromen-2-one
InChI:
InChI=1S/C12H10O4/c1-7(13)11-9(15-2)5-3-8-4-6-10(14)16-12(8)11/h3-6H,1-2H3
InChI Key:
OTYBDEHZHXKGBO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C(=O)C)oc(=O)cc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Design, synthesis and vasorelaxant evaluation of novel coumarin-pyrimidine hybrids. | Bioorganic & medicinal chemistry 20111015 |
| 7,8-disubstituted- but not 6,7-disubstituted coumarins selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic ones I and II in the low nanomolar/subnanomolar range. | Bioorganic & medicinal chemistry letters 20101215 |
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