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Home > Other Building Blocks > 88126-44-7
88126-44-7 | 2H-1-Benzopyran-2-one, 4-(4-hydroxyphenyl)-5,7-dimethoxy-
CAS No: 88126-44-7 Catalog No: AG004DUU MDL No:
Product Description
Catalog Number:
AG004DUU
Chemical Name:
2H-1-Benzopyran-2-one, 4-(4-hydroxyphenyl)-5,7-dimethoxy-
CAS Number:
88126-44-7
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
IUPAC Name:
4-(4-hydroxyphenyl)-5,7-dimethoxychromen-2-one
InChI:
InChI=1S/C17H14O5/c1-20-12-7-14(21-2)17-13(9-16(19)22-15(17)8-12)10-3-5-11(18)6-4-10/h3-9,18H,1-2H3
InChI Key:
ZCQHGWFKCJPSTB-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1c(cc(=O)o2)c1ccc(cc1)O
NSC Number:
634747
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.294g/mol
Monoisotopic Mass:
298.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antiprotozoal activity of 4-arylcoumarins. | European journal of medicinal chemistry 20100301 |
| Synthesis and biological evaluation of 4-arylcoumarin analogues of combretastatins. | Journal of medicinal chemistry 20031204 |
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