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42059-79-0 | 6-Methoxy-4-oxo-4H-chromene-3-carbaldehyde
CAS No: 42059-79-0 Catalog No: AG003N9O MDL No:MFCD02683011
Product Description
Catalog Number:
AG003N9O
Chemical Name:
6-Methoxy-4-oxo-4H-chromene-3-carbaldehyde
CAS Number:
42059-79-0
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
MDL Number:
MFCD02683011
IUPAC Name:
6-methoxy-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C11H8O4/c1-14-8-2-3-10-9(4-8)11(13)7(5-12)6-15-10/h2-6H,1H3
InChI Key:
ILFXSWVYDSZVBC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)c(co2)C=O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Biological activity of 3-formylchromones and related compounds. | In vivo (Athens, Greece) 20070101 |
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