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165393-06-6 | 6H-Dibenzo[b,d]pyran-6-one, 3,8,9-trihydroxy-
CAS No: 165393-06-6 Catalog No: AG001W4X MDL No:
Product Description
Catalog Number:
AG001W4X
Chemical Name:
6H-Dibenzo[b,d]pyran-6-one, 3,8,9-trihydroxy-
CAS Number:
165393-06-6
Molecular Formula:
C13H8O5
Molecular Weight:
244.1996
IUPAC Name:
3,8,9-trihydroxybenzo[c]chromen-6-one
InChI:
InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H
InChI Key:
HHXMEXZVPJFAIJ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c1c2cc(O)c(c1)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.202g/mol
Monoisotopic Mass:
244.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Isolation of Human Intestinal Bacteria Capable of Producing the Bioactive Metabolite Isourolithin A from Ellagic Acid. | Frontiers in microbiology 20170101 |
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