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809234-33-1 | 4-(Chloromethyl)-5,7-dihydroxy-2H-chromen-2-one
CAS No: 809234-33-1 Catalog No: AG005HVR MDL No:
Product Description
Catalog Number:
AG005HVR
Chemical Name:
4-(Chloromethyl)-5,7-dihydroxy-2H-chromen-2-one
CAS Number:
809234-33-1
Molecular Formula:
C10H7ClO4
Molecular Weight:
226.6132
IUPAC Name:
4-(chloromethyl)-5,7-dihydroxychromen-2-one
InChI:
InChI=1S/C10H7ClO4/c11-4-5-1-9(14)15-8-3-6(12)2-7(13)10(5)8/h1-3,12-13H,4H2
InChI Key:
SMMCGQQUJPNVBJ-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)oc2c1c(O)cc(c2)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.612g/mol
Monoisotopic Mass:
226.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Discovery and optimization of novel 3-piperazinylcoumarin antagonist of chemokine-like factor 1 with oral antiasthma activity in mice. | Journal of medicinal chemistry 20100225 |
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