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139256-06-7 | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-methoxyphenyl)-
CAS No: 139256-06-7 Catalog No: AG001AKY MDL No:MFCD01935357
Product Description
Catalog Number:
AG001AKY
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-methoxyphenyl)-
CAS Number:
139256-06-7
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
MDL Number:
MFCD01935357
IUPAC Name:
7-hydroxy-3-(3-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C16H12O4/c1-19-12-4-2-3-10(7-12)14-9-20-15-8-11(17)5-6-13(15)16(14)18/h2-9,17H,1H3
InChI Key:
SVIVXHGAPCFWCS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1coc2c(c1=O)ccc(c2)O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 7-Hydroxy-benzopyran-4-one derivatives: a novel pharmacophore of peroxisome proliferator-activated receptor alpha and -gamma (PPARalpha and gamma) dual agonists. | Journal of medicinal chemistry 20091112 |
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