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64481-12-5 | 6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde
CAS No: 64481-12-5 Catalog No: AG003N5S MDL No:MFCD00191919
Product Description
Catalog Number:
AG003N5S
Chemical Name:
6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde
CAS Number:
64481-12-5
Molecular Formula:
C11H7ClO3
Molecular Weight:
222.6245
MDL Number:
MFCD00191919
IUPAC Name:
6-chloro-7-methyl-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C11H7ClO3/c1-6-2-10-8(3-9(6)12)11(14)7(4-13)5-15-10/h2-5H,1H3
InChI Key:
NULJNFUEBPQUNB-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)cc(c(c2)C)Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.008g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.624g/mol
Monoisotopic Mass:
222.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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