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119120-32-0 | 8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 9-methoxy-6-phenyl-
CAS No: 119120-32-0 Catalog No: AG000I90 MDL No:
Product Description
Catalog Number:
AG000I90
Chemical Name:
8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 9-methoxy-6-phenyl-
CAS Number:
119120-32-0
Molecular Formula:
C17H12O5
Molecular Weight:
296.2742
IUPAC Name:
9-methoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
InChI:
InChI=1S/C17H12O5/c1-19-17-15-11(18)7-12(10-5-3-2-4-6-10)22-13(15)8-14-16(17)21-9-20-14/h2-8H,9H2,1H3
InChI Key:
NGLORVNWTNPBMU-UHFFFAOYSA-N
SMILES:
COc1c2OCOc2cc2c1c(=O)cc(o2)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.278g/mol
Monoisotopic Mass:
296.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Increased anti-P-glycoprotein activity of baicalein by alkylation on the A ring. | Journal of medicinal chemistry 20041021 |
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