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77316-95-1 | Ethanone, 2-(4-hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-
CAS No: 77316-95-1 Catalog No: AG005BV7 MDL No:
Product Description
Catalog Number:
AG005BV7
Chemical Name:
Ethanone, 2-(4-hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-
CAS Number:
77316-95-1
Molecular Formula:
C14H12O5
Molecular Weight:
260.2421
IUPAC Name:
2-(4-hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
InChI:
InChI=1S/C14H12O5/c15-9-3-1-8(2-4-9)7-12(17)10-5-6-11(16)14(19)13(10)18/h1-6,15-16,18-19H,7H2
InChI Key:
MPGPMJNRPGWFKC-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CC(=O)c1ccc(c(c1O)O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
260.245g/mol
Monoisotopic Mass:
260.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Chemometric modeling of free radical scavenging activity of flavone derivatives. | European journal of medicinal chemistry 20101101 |
| Potential antioxidants and tyrosinase inhibitors from synthetic polyphenolic deoxybenzoins. | Bioorganic & medicinal chemistry 20090701 |
| Amines and oximes derived from deoxybenzoins as Helicobacter pylori urease inhibitors. | European journal of medicinal chemistry 20090501 |
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